ethyl 5-azanyl-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H13F3N6O5 MolecularWeight: 438.31753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)N

InChI

InChI=1S/C17H13F3N6O5/c1-2-31-16(28)12-8-23-25(14(12)21)15(27)11-7-22-24(13(11)17(18,19)20)9-3-5-10(6-4-9)26(29)30/h3-8H,2,21H2,1H3