[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3/c1-14-6-5-7-15(12-14)18(22)23-13-17(21)20(11-10-19)16-8-3-2-4-9-16/h2-9,12H,11,13H2,1H3