1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C10H8F3N5O4 MolecularWeight: 319.19683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H8F3N5O4/c1-5-2-7(10(11,12)13)14-17(5)4-16-3-6(18(21)22)8(15-16)9(19)20/h2-3H,4H2,1H3,(H,19,20)