[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1OC)OC)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1OC)OC)OC

InChI

InChI=1S/C16H20N2O6/c1-18(7-5-6-17)15(19)10-24-16(20)11-8-13(22-3)14(23-4)9-12(11)21-2/h8-9H,5,7,10H2,1-4H3