2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)-2-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]acryloyl]amino]benzoic acid Formula: C21H14N4O5 MolecularWeight: 402.35966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H14N4O5/c22-13-14(20(26)23-19-6-2-1-5-18(19)21(27)28)12-17-4-3-11-24(17)15-7-9-16(10-8-15)25(29)30/h1-12H,(H,23,26)(H,27,28)/b14-12+