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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11N3O5/c17-12(10-5-6-11(15-10)16(20)21)14-7-8-1-3-9(4-2-8)13(18)19/h1-6,15H,7H2,(H,14,17)(H,18,19)