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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C19H18N2O5/c1-24-16-9-8-14(12-17(16)25-2)19(23)26-13-18(22)21(11-10-20)15-6-4-3-5-7-15/h3-9,12H,11,13H2,1-2H3