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

Systemtic Name: 4-[2-[(4-nitro-1H-pyrrol-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]ethyl]benzoic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC(=CN2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O5/c18-13(12-7-11(8-16-12)17(21)22)15-6-5-9-1-3-10(4-2-9)14(19)20/h1-4,7-8,16H,5-6H2,(H,15,18)(H,19,20)