4-[[(E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2,4,6-trimethylphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(2,4,6-trimethylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-mesityl-acryloyl]amino]benzoic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C20H18N2O3/c1-12-8-13(2)18(14(3)9-12)10-16(11-21)19(23)22-17-6-4-15(5-7-17)20(24)25/h4-10H,1-3H3,(H,22,23)(H,24,25)/b16-10+