2-acetamido-5-(4-bromophenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-(4-bromophenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-(4-bromophenyl)-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-(4-bromophenyl)-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-(4-bromophenyl)-5-oxopentanoic acid Traditional Name: 2-acetamido-5-(4-bromophenyl)-5-keto-valeric acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-8(16)15-11(13(18)19)6-7-12(17)9-2-4-10(14)5-3-9/h2-5,11H,6-7H2,1H3,(H,15,16)(H,18,19)