(E)-4-(4-acetamidophenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-acetamidophenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-acetamidophenyl)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-acetamidophenyl)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-acetamidophenyl)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-acetamidophenyl)-4-keto-2-methyl-but-2-enoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)NC(=O)C)/C(=O)O

InChI

InChI=1S/C13H13NO4/c1-8(13(17)18)7-12(16)10-3-5-11(6-4-10)14-9(2)15/h3-7H,1-2H3,(H,14,15)(H,17,18)/b8-7+