[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C21H19F2N3O6 MolecularWeight: 447.388866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC(F)F)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC3=CC(=C(C=C3[N+](=O)[O-])OC(F)F)OC

InChI

InChI=1S/C21H19F2N3O6/c1-12-19(13(2)25(24-12)15-7-5-4-6-8-15)20(27)31-11-14-9-17(30-3)18(32-21(22)23)10-16(14)26(28)29/h4-10,21H,11H2,1-3H3