2-methyl-5-(2-oxidanidyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)pyrazole-3-carboxylate

Systemtic Name: 2-methyl-5-(2-oxidanidyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)pyrazole-3-carboxylate Openeye Name: 2-methyl-5-(2-oxido-3-oxo-cyclohepta-1,4,6-trien-1-yl)pyrazole-3-carboxylate CAS Name: 2-methyl-5-(2-oxido-3-oxo-1-cyclohepta-1,4,6-trienyl)-3-pyrazolecarboxylate IUPAC Name: 2-methyl-5-(2-oxido-3-oxocyclohepta-1,4,6-trien-1-yl)pyrazole-3-carboxylate Traditional Name: 5-(3-keto-2-oxido-cyclohepta-1,4,6-trien-1-yl)-2-methyl-pyrazole-3-carboxylate Formula: C12H8N2O4-2 MolecularWeight: 244.20292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=C(C(=O)C=CC=C2)[O-])C(=O)[O-]

Isomeric SMILES

CN1C(=CC(=N1)C2=C(C(=O)C=CC=C2)[O-])C(=O)[O-]

InChI

InChI=1S/C12H10N2O4/c1-14-9(12(17)18)6-8(13-14)7-4-2-3-5-10(15)11(7)16/h2-6H,1H3,(H,15,16)(H,17,18)/p-2