ethanedioic acid; 3-methyl-4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-phenyl-methyl]-1,4-dihydropyrazol-5-one

Systemtic Name: ethanedioic acid; 3-methyl-4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-phenyl-methyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenyl-methyl]-1,4-dihydropyrazol-5-one; oxalic acid CAS Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]-1,4-dihydropyrazol-5-one; oxalic acid IUPAC Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-phenylmethyl]-1,4-dihydropyrazol-5-one; oxalic acid Traditional Name: 4-[(3-keto-5-methyl-2-pyrazolin-4-yl)-phenyl-methyl]-5-methyl-2-pyrazolin-3-one; oxalic acid Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C2C(=NNC2=O)C)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NNC(=O)C1C(C2C(=NNC2=O)C)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N4O2.C2H2O4/c1-8-11(14(20)18-16-8)13(10-6-4-3-5-7-10)12-9(2)17-19-15(12)21;3-1(4)2(5)6/h3-7,11-13H,1-2H3,(H,18,20)(H,19,21);(H,3,4)(H,5,6)