ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-6-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-[4-(trifluoromethyl)benzyl]oxy-pyridazine-3-carboxylic acid ethyl ester Formula: C21H16BrF3N2O4 MolecularWeight: 497.26195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H16BrF3N2O4/c1-2-30-20(29)19-17(31-12-13-6-8-14(9-7-13)21(23,24)25)11-18(28)27(26-19)16-5-3-4-15(22)10-16/h3-11H,2,12H2,1H3