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

Systemtic Name: (E)-4-[4-acetamido-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[4-acetamido-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[4-acetamido-1-[(4-fluorophenyl)methyl]-2-pyrrolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[4-acetamido-1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[4-acetamido-1-(4-fluorobenzyl)pyrrol-2-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN(C(=C1)C(=CC(=O)C(=O)O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=CN(C(=C1)/C(=C\C(=O)C(=O)O)/O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN2O5/c1-10(21)19-13-6-14(15(22)7-16(23)17(24)25)20(9-13)8-11-2-4-12(18)5-3-11/h2-7,9,22H,8H2,1H3,(H,19,21)(H,24,25)/b15-7+