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

Systemtic Name: 3-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5/c16-11(9-4-5-10(14-9)15(19)20)13-8-3-1-2-7(6-8)12(17)18/h1-6,14H,(H,13,16)(H,17,18)