2-[4-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

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