butyl 4-[5-chloranyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]oxybenzoate

Systemtic Name: butyl 4-[5-chloranyl-6-oxidanylidene-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]oxybenzoate Openeye Name: butyl 4-[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridyl]pyridazin-4-yl]oxybenzoate CAS Name: 4-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyridazinyl]oxy]benzoic acid butyl ester IUPAC Name: butyl 4-[5-chloro-6-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-4-yl]oxybenzoate Traditional Name: 4-[5-chloro-6-keto-1-[5-(trifluoromethyl)-2-pyridyl]pyridazin-4-yl]oxybenzoic acid butyl ester Formula: C21H17ClF3N3O4 MolecularWeight: 467.82559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H17ClF3N3O4/c1-2-3-10-31-20(30)13-4-7-15(8-5-13)32-16-12-27-28(19(29)18(16)22)17-9-6-14(11-26-17)21(23,24)25/h4-9,11-12H,2-3,10H2,1H3