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

Systemtic Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-oxo-5-phenyl-pentanoate CAS Name: 2-acetamido-3-(2-bromophenyl)-2-cyano-5-oxo-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(2-bromophenyl)-2-cyano-5-oxo-5-phenylpentanoate Traditional Name: 2-acetamido-3-(2-bromophenyl)-2-cyano-5-keto-5-phenyl-valeric acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-3-29-21(28)22(14-24,25-15(2)26)18(17-11-7-8-12-19(17)23)13-20(27)16-9-5-4-6-10-16/h4-12,18H,3,13H2,1-2H3,(H,25,26)