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

Systemtic Name: 3-[[2-cyano-3-[1-(2,3-dimethylphenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-(2,3-dimethylphenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-(2,3-dimethylphenyl)-2-pyrrolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-(2,3-dimethylphenyl)pyrrol-2-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(2,3-dimethylphenyl)pyrrol-2-yl]acryloyl]amino]benzoic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CC=C2C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C23H19N3O3/c1-15-6-3-10-21(16(15)2)26-11-5-9-20(26)13-18(14-24)22(27)25-19-8-4-7-17(12-19)23(28)29/h3-13H,1-2H3,(H,25,27)(H,28,29)