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

Systemtic Name: ethyl 2-acetamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-5-(4-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-5-oxo-5-(p-tolyl)pentanoate CAS Name: 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-5-(4-methylphenyl)-5-oxopentanoate Traditional Name: 2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-5-keto-5-(p-tolyl)valeric acid ethyl ester Formula: C24H23BrN2O6 MolecularWeight: 515.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN2O6/c1-4-31-23(30)24(12-26,27-15(3)28)18(10-20(29)16-7-5-14(2)6-8-16)17-9-21-22(11-19(17)25)33-13-32-21/h5-9,11,18H,4,10,13H2,1-3H3,(H,27,28)