methyl 3,4-bis(oxidanylidene)-2-(phenylmethyl)-6-(trifluoromethyl)-1H-pyridazine-5-carboxylate

Systemtic Name: methyl 3,4-bis(oxidanylidene)-2-(phenylmethyl)-6-(trifluoromethyl)-1H-pyridazine-5-carboxylate Openeye Name: methyl 2-benzyl-3,4-dioxo-6-(trifluoromethyl)-1H-pyridazine-5-carboxylate CAS Name: 3,4-dioxo-2-(phenylmethyl)-6-(trifluoromethyl)-1H-pyridazine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-3,4-dioxo-6-(trifluoromethyl)-1H-pyridazine-5-carboxylate Traditional Name: 2-benzyl-3,4-diketo-6-(trifluoromethyl)-1H-pyridazine-5-carboxylic acid methyl ester Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O4/c1-23-13(22)9-10(20)12(21)19(18-11(9)14(15,16)17)7-8-5-3-2-4-6-8/h2-6,18H,7H2,1H3