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

Systemtic Name: ethyl 2-acetamido-3-(2-bromophenyl)-5-(4-chlorophenyl)-2-cyano-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-3-(2-bromophenyl)-5-(4-chlorophenyl)-2-cyano-5-oxo-pentanoate CAS Name: 2-acetamido-3-(2-bromophenyl)-5-(4-chlorophenyl)-2-cyano-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(2-bromophenyl)-5-(4-chlorophenyl)-2-cyano-5-oxopentanoate Traditional Name: 2-acetamido-3-(2-bromophenyl)-5-(4-chlorophenyl)-2-cyano-5-keto-valeric acid ethyl ester Formula: C22H20BrClN2O4 MolecularWeight: 491.7622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN2O4/c1-3-30-21(29)22(13-25,26-14(2)27)18(17-6-4-5-7-19(17)23)12-20(28)15-8-10-16(24)11-9-15/h4-11,18H,3,12H2,1-2H3,(H,26,27)