[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H20N2O5/c1-18(28)32-23-13-11-20(12-14-23)19-7-9-21(10-8-19)25(30)31-17-24(29)27(16-15-26)22-5-3-2-4-6-22/h2-14H,16-17H2,1H3