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

Systemtic Name: 4-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2,4-dimethylphenyl)acryloyl]amino]benzoate Formula: C19H15N2O3- MolecularWeight: 319.334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)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#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C19H16N2O3/c1-12-3-4-15(13(2)9-12)10-16(11-20)18(22)21-17-7-5-14(6-8-17)19(23)24/h3-10H,1-2H3,(H,21,22)(H,23,24)/p-1/b16-10+