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

Systemtic Name: (E)-4-[5-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[5-(p-tolylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[5-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[5-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[5-(4-methylbenzyl)-1H-pyrazol-3-yl]but-3-enoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC(=NN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC(=NN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)6-11-7-12(17-16-11)13(18)8-14(19)15(20)21/h2-5,7-8,18H,6H2,1H3,(H,16,17)(H,20,21)/b13-8+