4-azanyl-3-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-azanyl-3-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 4-amino-3-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 4-amino-3-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-amino-3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 4-amino-3-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-16-6-8(17(21)22)5-11(16)12(18)15-10-4-7(13(19)20)2-3-9(10)14/h2-6H,14H2,1H3,(H,15,18)(H,19,20)