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

Systemtic Name: (E)-4-[5-[(3-fluorophenyl)methyl]-1H-pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-[(3-fluorophenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-[(3-fluorophenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-[(3-fluorophenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(3-fluorobenzyl)-1H-pyrrol-3-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(=C1)F)CC2=CC(=CN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CC2=CC(=CN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H12FNO4/c16-11-3-1-2-9(4-11)5-12-6-10(8-17-12)13(18)7-14(19)15(20)21/h1-4,6-8,17-18H,5H2,(H,20,21)/b13-7+