methyl 3-(4-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: methyl 3-(4-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-(4-nitrophenyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C12H10F3N3O5 MolecularWeight: 333.22011

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

COC(=O)N1C(CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C12H10F3N3O5/c1-23-10(19)17-11(20,12(13,14)15)6-9(16-17)7-2-4-8(5-3-7)18(21)22/h2-5,20H,6H2,1H3