[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H20N2O5 MolecularWeight: 428.4367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C25H20N2O5/c1-16(24(29)27-22-5-3-4-18(14-22)15-26)31-25(30)21-8-6-19(7-9-21)20-10-12-23(13-11-20)32-17(2)28/h3-14,16H,1-2H3,(H,27,29)