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

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1-chloro-2,4-dinitrobenzene

	Properties	Image
MNX_ID	MNXM1398
reference	chebi:34718
formula	C₆H₃ClN₂O₄
global charge	0
mol weight	202.553
InChIKey	VYZAHLCBVHPDDF-UHFFFAOYSA-N
InChI	InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
SMILES	O=[N+]([O-])C1=CC=C(Cl)C([N+](=O)[O-])=C1

MNX internals

InChI (mnx)	InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([Cl:7])=[C:6]([N+:9]([O-:12])=[O:13])[CH:3]=[C:4]1[N+:8]([O-:10])=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-176044 reactomeM:R-ALL-176044 reactome:R-ALL-3301954 reactomeM:R-ALL-3301954 CHEBI:34718 chebi:34718 VYZAHLCBVHPDDF-UHFFFAOYSA-N	1-chloro-2,4-dinitrobenzene 1,3-Dinitro-4-chlorobenzene 1-Chloro-2,4-dinitrobenzene 1-Chloro-2,4-dinitrobenzol 2,4-Dinitro-1-chlorobenzene 2,4-Dinitrochlorobenzene 2,4-Dinitrophenyl chloride 4-Chloro-1,3-dinitrobenzene 6-Chloro-1,3-dinitrobenzene Cdnb Chlorodinitrobenzene ClDNB DNCB DNPCl Dinitrochlorobenzene Dncb
hmdb:HMDB0243844 VYZAHLCBVHPDDF-UHFFFAOYSA-N	1-Chloro-2,4-dinitrobenzene 1 Chloro 2,4 dinitrobenzene 1,3-Dinitro-4-chlorobenzene 1-Chloro-2,4-dinitrobenzol 1-chloro-2,4-dinitrobenzene 2,4-Dinitro-1-chlorobenzene 2,4-Dinitrochlorobenzene 2,4-Dinitrophenyl chloride 4-Chloro-1,3-dinitrobenzene 6-Chloro-1,3-dinitrobenzene CDNB CLDNB Cdnb Chlorodinitrobenzene DNCB DNPCL Dinitrochlorobenzene
sabiork.compound:18763 sabiorkM:18763 VYZAHLCBVHPDDF-UHFFFAOYSA-N	1-Chloro-2,4-dinitrobenzene CDNB
metacyc.compound:1-CHLORO-24-DINITROBENZENE metacycM:1-CHLORO-24-DINITROBENZENE VYZAHLCBVHPDDF-UHFFFAOYSA-N	1-chloro-2,4-dinitrobenzene CDNB
kegg.compound:C14397 keggC:C14397 VYZAHLCBVHPDDF-UHFFFAOYSA-N	Dinitrochlorobenzene 1-Chloro-2,4-dinitrobenzene
seed.compound:cpd10096 seedM:cpd10096 VYZAHLCBVHPDDF-UHFFFAOYSA-N	Dinitrochlorobenzene 1-Chloro-2,4-dinitrobenzene 1-chloro-2,4-dinitrobenzene CDNB
keggC:M_C14397 seedM:M_cpd10096	secondary/obsolete/fantasy identifier