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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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