methyl 2-[acetamido-(4-bromophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[acetamido-(4-bromophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[acetamido-(4-bromophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[acetamido-(4-bromophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[acetamido-(4-bromophenyl)methyl]-3-oxobutanoate Traditional Name: 2-[acetamido-(4-bromophenyl)methyl]-3-keto-butyric acid methyl ester Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-8(17)12(14(19)20-3)13(16-9(2)18)10-4-6-11(15)7-5-10/h4-7,12-13H,1-3H3,(H,16,18)