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

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2,4-diamino-6-nitrotoluene

	Properties	Image
MNX_ID	MNXM2914
reference	chebi:19342
formula	C₇H₉N₃O₂
global charge	0
mol weight	167.168
InChIKey	DFZSBQYOXAUYCB-UHFFFAOYSA-N
InChI	InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
SMILES	CC1=C([N+](=O)[O-])C=C(N)C=C1N

MNX internals

InChI (mnx)	InChI=1/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
SMILES (mnx)	[CH3:1][C:4]1=[C:6]([NH2:9])[CH:2]=[C:5]([NH2:8])[CH:3]=[C:7]1[N+:10]([O-:11])=[O:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19342 chebi:19342 DFZSBQYOXAUYCB-UHFFFAOYSA-N	2,4-diamino-6-nitrotoluene 2-Nitro-4,6-diaminotoluene 4-methyl-5-nitrobenzene-1,3-diamine
envipath:...6f3a52351223 envipathM:...6f3a52351223 seed.compound:cpd15102 seedM:cpd15102 kegg.compound:C16396 keggC:C16396 DFZSBQYOXAUYCB-UHFFFAOYSA-N	2,4-Diamino-6-nitrotoluene
hmdb:HMDB0060362 DFZSBQYOXAUYCB-UHFFFAOYSA-N	2,4-Diamino-6-nitrotoluene 2,4-diamino-6-nitrotoluene 2-Nitro-4,6-diaminotoluene 4-methyl-5-nitrobenzene-1,3-diamine
hmdb:HMDB60362 keggC:M_C16396 seedM:M_cpd15102	secondary/obsolete/fantasy identifier