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

Systemtic Name: (E)-4-[4-[(4-ethanoylphenyl)methyl]-1H-pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[4-[(4-acetylphenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[4-[(4-acetylphenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[4-[(4-acetylphenyl)methyl]-1H-pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[4-(4-acetylbenzyl)-1H-pyrrol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=CNC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CNC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C17H15NO5/c1-10(19)12-4-2-11(3-5-12)6-13-8-18-9-14(13)15(20)7-16(21)17(22)23/h2-5,7-9,18,20H,6H2,1H3,(H,22,23)/b15-7+