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

Systemtic Name: (E)-4-[5-[(4-ethanoylphenyl)methyl]-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5-[(4-acetylphenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5-[(4-acetylphenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5-[(4-acetylphenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[5-(4-acetylbenzyl)-1H-pyrazol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CC2=CC(=NN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CC2=CC(=NN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H14N2O5/c1-9(19)11-4-2-10(3-5-11)6-12-7-13(18-17-12)14(20)8-15(21)16(22)23/h2-5,7-8,20H,6H2,1H3,(H,17,18)(H,22,23)/b14-8+