2-[(4-fluorophenyl)methyl]-4-[(E)-4-methoxy-3-oxidanyl-4-oxidanylidene-but-2-enoyl]imidazole-4-carboxylic acid

Systemtic Name: 2-[(4-fluorophenyl)methyl]-4-[(E)-4-methoxy-3-oxidanyl-4-oxidanylidene-but-2-enoyl]imidazole-4-carboxylic acid Openeye Name: 2-[(4-fluorophenyl)methyl]-4-[(E)-3-hydroxy-4-methoxy-4-oxo-but-2-enoyl]imidazole-4-carboxylic acid CAS Name: 2-[(4-fluorophenyl)methyl]-4-[(E)-3-hydroxy-4-methoxy-1,4-dioxobut-2-enyl]-4-imidazolecarboxylic acid IUPAC Name: 2-[(4-fluorophenyl)methyl]-4-[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]imidazole-4-carboxylic acid Traditional Name: 2-(4-fluorobenzyl)-4-[(E)-3-hydroxy-4-keto-4-methoxy-but-2-enoyl]imidazole-4-carboxylic acid Formula: C16H13FN2O6 MolecularWeight: 348.282623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)C1(C=NC(=N1)CC2=CC=C(C=C2)F)C(=O)O)O

Isomeric SMILES

COC(=O)/C(=C\C(=O)C1(C=NC(=N1)CC2=CC=C(C=C2)F)C(=O)O)/O

InChI

InChI=1S/C16H13FN2O6/c1-25-14(22)11(20)7-12(21)16(15(23)24)8-18-13(19-16)6-9-2-4-10(17)5-3-9/h2-5,7-8,20H,6H2,1H3,(H,23,24)/b11-7+