ethyl 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2,5-dimethylphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)C)C)/C#N

InChI

InChI=1S/C21H20N2O3/c1-4-26-21(25)16-7-9-19(10-8-16)23-20(24)18(13-22)12-17-11-14(2)5-6-15(17)3/h5-12H,4H2,1-3H3,(H,23,24)/b18-12+