ethyl 1-(4-methylphenyl)-4,4-bis(oxidanyl)-5-oxidanylidene-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-4,4-bis(oxidanyl)-5-oxidanylidene-pyrazole-3-carboxylate Openeye Name: ethyl 4,4-dihydroxy-5-oxo-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 4,4-dihydroxy-1-(4-methylphenyl)-5-oxo-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4,4-dihydroxy-1-(4-methylphenyl)-5-oxopyrazole-3-carboxylate Traditional Name: 4,4-dihydroxy-5-keto-1-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1(O)O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1(O)O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H14N2O5/c1-3-20-11(16)10-13(18,19)12(17)15(14-10)9-6-4-8(2)5-7-9/h4-7,18-19H,3H2,1-2H3