4-[4-(4-acetamido-3-bromanyl-phenyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-acetamido-3-bromanyl-phenyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-acetamido-3-bromo-phenyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(4-acetamido-3-bromophenyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-acetamido-3-bromophenyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(4-acetamido-3-bromo-phenyl)phenyl]-4-keto-butyric acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O)Br

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)O)Br

InChI

InChI=1S/C18H16BrNO4/c1-11(21)20-16-7-6-14(10-15(16)19)12-2-4-13(5-3-12)17(22)8-9-18(23)24/h2-7,10H,8-9H2,1H3,(H,20,21)(H,23,24)