(2-chloranyl-4-nitro-phenyl) 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 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 (2-chloro-4-nitro-phenyl) ester Formula: C19H11ClF3N3O5 MolecularWeight: 453.75595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H11ClF3N3O5/c1-10-7-15(27)17(18(28)31-16-6-5-13(26(29)30)9-14(16)20)24-25(10)12-4-2-3-11(8-12)19(21,22)23/h2-9H,1H3