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

Systemtic Name: (E)-4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[1-(3-fluorobenzyl)pyrazol-4-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(=C1)F)CN2C=C(C=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CN2C=C(C=N2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H11FN2O4/c15-11-3-1-2-9(4-11)7-17-8-10(6-16-17)12(18)5-13(19)14(20)21/h1-6,8,18H,7H2,(H,20,21)/b12-5+