[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-oxomethyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H19N3O4/c1-23(15-8-3-2-4-9-15)19(25)16-10-5-6-11-17(16)20(26)27-14-18(24)22-13-7-12-21/h2-6,8-11H,7,13-14H2,1H3,(H,22,24)