ethyl 2-acetamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-acetamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-oxo-pentanoate CAS Name: 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-oxopentanoate Traditional Name: 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-cyano-5-keto-valeric acid ethyl ester Formula: C23H20BrClN2O6 MolecularWeight: 535.7717

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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=CC3=C(C=C2Br)OCO3)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C#N)(C(CC(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2Br)OCO3)NC(=O)C

InChI

InChI=1S/C23H20BrClN2O6/c1-3-31-22(30)23(11-26,27-13(2)28)17(9-19(29)14-4-6-15(25)7-5-14)16-8-20-21(10-18(16)24)33-12-32-20/h4-8,10,17H,3,9,12H2,1-2H3,(H,27,28)