3-methyl-4-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=C(N2)[N+](=O)[O-]

InChI

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