methyl 4,5-bis(oxidanylidene)-1-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4,5-bis(oxidanylidene)-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-4,5-dioxo-pyrazole-3-carboxylate CAS Name: 4,5-dioxo-1-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4,5-dioxopyrazole-3-carboxylate Traditional Name: 1-benzyl-4,5-diketo-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C1=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=O)C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H10N2O4/c1-18-12(17)9-10(15)11(16)14(13-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3