(E)-4-[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[4-(4-fluorobenzyl)-1H-pyrazol-5-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H11FN2O4 MolecularWeight: 290.246543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NN=C2)C(=CC(=O)C(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NN=C2)/C(=C\C(=O)C(=O)O)/O)F

InChI

InChI=1S/C14H11FN2O4/c15-10-3-1-8(2-4-10)5-9-7-16-17-13(9)11(18)6-12(19)14(20)21/h1-4,6-7,18H,5H2,(H,16,17)(H,20,21)/b11-6+