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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5/c1-3-28-20-17(22)12-15(13-18(20)27-2)21(26)29-14-19(25)24(11-7-10-23)16-8-5-4-6-9-16/h4-6,8-9,12-13H,3,7,11,14H2,1-2H3