4-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-acetamido-3-chloro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-acetamido-3-chlorophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-acetamido-3-chlorophenyl)-4-oxobutanoic acid Traditional Name: 4-(4-acetamido-3-chloro-phenyl)-4-keto-butyric acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C12H12ClNO4/c1-7(15)14-10-3-2-8(6-9(10)13)11(16)4-5-12(17)18/h2-3,6H,4-5H2,1H3,(H,14,15)(H,17,18)