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

Systemtic Name: 4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c1-15-7-10(16(20)21)6-11(15)12(17)14-9-4-2-8(3-5-9)13(18)19/h2-7H,1H3,(H,14,17)(H,18,19)