[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OCC

InChI

InChI=1S/C21H22N2O5/c1-3-26-18-11-10-16(14-19(18)27-4-2)21(25)28-15-20(24)23(13-12-22)17-8-6-5-7-9-17/h5-11,14H,3-4,13,15H2,1-2H3