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

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C21H20N2O5/c1-2-27-19-10-8-18(9-11-19)23(13-3-12-22)20(25)15-28-21(26)17-6-4-16(14-24)5-7-17/h4-11,14H,2-3,13,15H2,1H3