[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3/c19-12-7-13-20(16-10-5-2-6-11-16)17(21)14-23-18(22)15-8-3-1-4-9-15/h1-6,8-11H,7,13-14H2