1,3-benzoxazol-2-ylmethyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H14F3N3O4 MolecularWeight: 429.34877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H14F3N3O4/c1-12-9-16(28)19(26-27(12)14-6-4-5-13(10-14)21(22,23)24)20(29)30-11-18-25-15-7-2-3-8-17(15)31-18/h2-10H,11H2,1H3