methyl 4-(4-bromophenyl)-2-ethanoyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-bromophenyl)-2-ethanoyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-4-(4-bromophenyl)-3-oxo-butanoate CAS Name: 2-acetyl-4-(4-bromophenyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetyl-4-(4-bromophenyl)-3-oxobutanoate Traditional Name: 2-acetyl-4-(4-bromophenyl)-3-keto-butyric acid methyl ester Formula: C13H13BrO4 MolecularWeight: 313.14392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)CC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(=O)C(C(=O)CC1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C13H13BrO4/c1-8(15)12(13(17)18-2)11(16)7-9-3-5-10(14)6-4-9/h3-6,12H,7H2,1-2H3