ethyl 5-azanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-nitro-4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C14H11F3N4O5 MolecularWeight: 372.25615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N4O5/c1-2-26-13(23)9-6-19-20(11(9)18)12(22)8-4-3-7(14(15,16)17)5-10(8)21(24)25/h3-6H,2,18H2,1H3