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

Systemtic Name: methyl 5-azanyl-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-nitrophenyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H9F3N4O4 MolecularWeight: 330.21947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H9F3N4O4/c1-23-11(20)8-9(12(13,14)15)17-18(10(8)16)6-2-4-7(5-3-6)19(21)22/h2-5H,16H2,1H3