MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-chloro-7-nitrobenzofurazan

	Properties	Image
MNX_ID	MNXM37377
reference	chebi:78878
formula	C₆H₂ClN₃O₃
global charge	0
mol weight	199.553
InChIKey	IGHBXJSNZCFXNK-UHFFFAOYSA-N
InChI	InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
SMILES	O=[N+]([O-])C1=CC=C(Cl)C2=NON=C12

MNX internals

InChI (mnx)	InChI=1/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
SMILES (mnx)	[CH:1]1=[C:3]([Cl:7])[C:5]2=[N:8][O:13][N:9]=[C:6]2[C:4]([N+:10]([O-:11])=[O:12])=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78878 chebi:78878 IGHBXJSNZCFXNK-UHFFFAOYSA-N	4-chloro-7-nitrobenzofurazan 1-chloro-4-nitrobenzoxadiazole 4-chloro-7-nitro-2,1,3-benzoxadiazole 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole 4-nitro-7-chlorobenzofurazan 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole 7-chloro-4-nitrobenzofurazan NBD chloride NBD-C 1 NBD-chloride NBF-Cl
hmdb:HMDB0246389 IGHBXJSNZCFXNK-UHFFFAOYSA-N	4-Chloro-7-nitrobenzofurazan 1-Chloro-4-nitrobenzoxadiazole 4 Chloro 7 nitrobenzofurazan 4-Chloro-7-nitrobenzo-2-oxa-1,3-diazole 4-Nitro-7-chlorobenzofurazan 4-chloro-7-nitro-2,1,3-benzoxadiazole 7 Chloro 4 nitrobenzofurazan 7-Chloro-4-nitrobenzo-2-oxa-1,3-diazole 7-Chloro-4-nitrobenzofurazan Chloride, NBD Chloride, nitrobenzoxadiazole Chloronitrobenzoxadiazole NBD Chloride NBD-C 1 NBD-Chloride NBF CL NBF-CL Nitrobenzoxadiazole chloride
seed.compound:cpd26044 seedM:cpd26044 IGHBXJSNZCFXNK-UHFFFAOYSA-N	4-chloro-7-nitrobenzo-2-oxa-1,3-diazole 1-chloro-4-nitrobenzoxadiazole 4-chloro-7-nitro-2,1,3-benzoxadiazole 4-chloro-7-nitrobenzofurazan 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole 7-chloro-4-nitrobenzofurazan NBD chloride chloronitrobenzoxadiazole
metacyc.compound:CPD0-1250 metacycM:CPD0-1250 IGHBXJSNZCFXNK-UHFFFAOYSA-N	4-chloro-7-nitrobenzofurazan 1-chloro-4-nitrobenzoxadiazole 4-chloro-7-nitro-2,1,3-benzoxadiazole 4-chloro-7-nitrobenzo-2-oxa-1,3-diazole 7-chloro-4-nitrobenzo-2-oxa-1,3-diazole 7-chloro-4-nitrobenzofurazan NBD chloride chloronitrobenzoxadiazole
sabiork.compound:25479 sabiorkM:25479 IGHBXJSNZCFXNK-UHFFFAOYSA-N	7-Chloro-4-nitrobenzo-2-oxa-1,3-diazole
seedM:M_cpd26044	secondary/obsolete/fantasy identifier