3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]acryloyl]amino]benzoic acid Formula: C23H18N4O5 MolecularWeight: 430.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H18N4O5/c1-14-9-17(15(2)26(14)20-7-4-8-21(12-20)27(31)32)10-18(13-24)22(28)25-19-6-3-5-16(11-19)23(29)30/h3-12H,1-2H3,(H,25,28)(H,29,30)