[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chloranylphenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chloranylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-(2-chlorophenoxy)acetate CAS Name: 2-(2-chlorophenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate Traditional Name: 2-(2-chlorophenoxy)acetic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C21H21ClN2O5/c1-2-27-17-10-8-16(9-11-17)24(13-5-12-23)20(25)14-29-21(26)15-28-19-7-4-3-6-18(19)22/h3-4,6-11H,2,5,13-15H2,1H3