[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C20H19ClN2O5/c1-3-27-19-16(21)11-14(12-17(19)26-2)20(25)28-13-18(24)23(10-9-22)15-7-5-4-6-8-15/h4-8,11-12H,3,10,13H2,1-2H3