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

Systemtic Name: (E)-4-[3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[3-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[3-(4-fluorobenzyl)-1H-pyrrol-2-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C15H12FNO4 MolecularWeight: 289.258483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12FNO4/c16-11-3-1-9(2-4-11)7-10-5-6-17-14(10)12(18)8-13(19)15(20)21/h1-6,8,17-18H,7H2,(H,20,21)/b12-8+