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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-25-16-10-9-15(18(26-2)19(16)27-3)20(24)28-13-17(23)22(12-11-21)14-7-5-4-6-8-14/h4-10H,12-13H2,1-3H3