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5-nitroanthranilate

PropertiesImage
MNX_IDMNXM5018 Image of MNXM5018
referencechebi:61267
formulaC7H5N2O4
global charge-1
mol weight181.127
InChIKeyRUCHWTKMOWXHLU-UHFFFAOYSA-M
InChIInChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)/p-1
SMILESNC1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11) Image of MNXM5018
SMILES (mnx)[CH:1]1=[CH:2][C:6]([NH2:8])=[C:5]([C:7](=[O:10])[OH:11])[CH:3]=[C:4]1[N+:9]([O-:12])=[O:13]
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
IdentifierDescription

CHEBI:61267
chebi:61267
RUCHWTKMOWXHLU-UHFFFAOYSA-M 		5-nitroanthranilate
2-amino-5-nitrobenzoate

envipath:...5608af0970a2
envipathM:...5608af0970a2
RUCHWTKMOWXHLU-UHFFFAOYSA-M 		5-Nitroanthranilate

kegg.compound:C19788
keggC:C19788
RUCHWTKMOWXHLU-UHFFFAOYSA-N 		5-Nitroanthranilate
2-Amino-5-nitrobenzoate

seed.compound:cpd21033
seedM:cpd21033
RUCHWTKMOWXHLU-UHFFFAOYSA-M 		5-Nitroanthranilate
2-Amino-5-nitrobenzoate
5-nitroanthranilate
5-nitrroanthranilic acid

metacyc.compound:CPD-12695
metacycM:CPD-12695
RUCHWTKMOWXHLU-UHFFFAOYSA-M 		5-nitroanthranilate
5-nitrroanthranilic acid

CHEBI:61280
chebi:61280
RUCHWTKMOWXHLU-UHFFFAOYSA-N 		5-nitroanthranilic acid
1-amino-2-carboxy-4-nitrobenzene
2-amino-5-nitrobenzoic acid

envipath:...bb34a18476d5
envipathM:...bb34a18476d5
RUCHWTKMOWXHLU-UHFFFAOYSA-N 		compound 0062708

keggC:M_C19788
seedM:M_cpd21033 		secondary/obsolete/fantasy identifier