2-[2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]ethanoyl]-3,5-bis(oxidanyl)phenolate

Systemtic Name: 2-[2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]ethanoyl]-3,5-bis(oxidanyl)phenolate Openeye Name: 3,5-dihydroxy-2-[2-[3-(p-tolyl)-1H-pyrazol-5-yl]acetyl]phenolate CAS Name: 3,5-dihydroxy-2-[2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1-oxoethyl]phenolate IUPAC Name: 3,5-dihydroxy-2-[2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]acetyl]phenolate Traditional Name: 3,5-dihydroxy-2-[2-[3-(p-tolyl)-1H-pyrazol-5-yl]acetyl]phenolate Formula: C18H15N2O4- MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)CC(=O)C3=C(C=C(C=C3[O-])O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)CC(=O)C3=C(C=C(C=C3[O-])O)O

InChI

InChI=1S/C18H16N2O4/c1-10-2-4-11(5-3-10)14-6-12(19-20-14)7-15(22)18-16(23)8-13(21)9-17(18)24/h2-6,8-9,21,23-24H,7H2,1H3,(H,19,20)/p-1