methyl 6-oxidanylidene-1-phenyl-5-propan-2-yloxy-3-(trifluoromethyl)pyridazine-4-carboxylate

Systemtic Name: methyl 6-oxidanylidene-1-phenyl-5-propan-2-yloxy-3-(trifluoromethyl)pyridazine-4-carboxylate Openeye Name: methyl 5-isopropoxy-6-oxo-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylate CAS Name: 6-oxo-1-phenyl-5-propan-2-yloxy-3-(trifluoromethyl)-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-phenyl-5-propan-2-yloxy-3-(trifluoromethyl)pyridazine-4-carboxylate Traditional Name: 5-isopropoxy-6-keto-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylic acid methyl ester Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)OC1=C(C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H15F3N2O4/c1-9(2)25-12-11(15(23)24-3)13(16(17,18)19)20-21(14(12)22)10-7-5-4-6-8-10/h4-9H,1-3H3