ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-(4-methylphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-(4-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-oxo-5-(p-tolyl)pentanoate CAS Name: 2-acetamido-3-(2-bromophenyl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoate Traditional Name: 2-acetamido-3-(2-bromophenyl)-2-cyano-5-keto-5-(p-tolyl)valeric acid ethyl ester Formula: C23H23BrN2O4 MolecularWeight: 471.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C(CC(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C#N)(C(CC(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2Br)NC(=O)C

InChI

InChI=1S/C23H23BrN2O4/c1-4-30-22(29)23(14-25,26-16(3)27)19(18-7-5-6-8-20(18)24)13-21(28)17-11-9-15(2)10-12-17/h5-12,19H,4,13H2,1-3H3,(H,26,27)