[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-26-17-12-14(11-16(21)19(17)27-2)20(25)28-13-18(24)23(10-6-9-22)15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,10,13H2,1-2H3