2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(2,4-dimethylphenyl)acryloyl]amino]benzoic acid Formula: C19H16N2O3 MolecularWeight: 320.34194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C19H16N2O3/c1-12-7-8-14(13(2)9-12)10-15(11-20)18(22)21-17-6-4-3-5-16(17)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/b15-10+