methyl 2-[(2-bromanyl-4-ethanoyl-phenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(2-bromanyl-4-ethanoyl-phenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(4-acetyl-2-bromo-phenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(4-acetyl-2-bromophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(4-acetyl-2-bromophenyl)methyl]-3-oxobutanoate Traditional Name: 2-(4-acetyl-2-bromo-benzyl)-3-keto-butyric acid methyl ester Formula: C14H15BrO4 MolecularWeight: 327.1705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)CC(C(=O)C)C(=O)OC)Br

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)CC(C(=O)C)C(=O)OC)Br

InChI

InChI=1S/C14H15BrO4/c1-8(16)10-4-5-11(13(15)7-10)6-12(9(2)17)14(18)19-3/h4-5,7,12H,6H2,1-3H3