[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-14-11-15(2)19(16(3)12-14)20(24)25-13-18(23)22(10-9-21)17-7-5-4-6-8-17/h4-8,11-12H,10,13H2,1-3H3