[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

InChI

InChI=1S/C20H18N2O4/c1-13-3-8-17(14(2)11-13)18(23)12-26-20(25)15-4-6-16(7-5-15)22-19(24)9-10-21/h3-8,11H,9,12H2,1-2H3,(H,22,24)