(4-acetamidophenyl) 1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: (4-acetamidophenyl) 1-(6-oxidanylidene-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: (4-acetamidophenyl) 1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(6-keto-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (4-acetamidophenyl) ester Formula: C17H12F3N5O4 MolecularWeight: 407.30349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N5O4/c1-9(26)22-10-2-4-11(5-3-10)29-16(28)12-8-21-25(15(12)17(18,19)20)13-6-7-14(27)24-23-13/h2-8H,1H3,(H,22,26)(H,24,27)