methyl 2-[1-(2-bromophenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[1-(2-bromophenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-3-(2-bromophenyl)butanoate CAS Name: 2-acetyl-3-(2-bromophenyl)butanoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-(2-bromophenyl)butanoate Traditional Name: 2-acetyl-3-(2-bromophenyl)butyric acid methyl ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)C(C(=O)C)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1Br)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C13H15BrO3/c1-8(10-6-4-5-7-11(10)14)12(9(2)15)13(16)17-3/h4-8,12H,1-3H3