5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-methyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C12H8F3N3O4 MolecularWeight: 315.20483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H8F3N3O4/c1-6-9(18(21)22)10(11(19)20)17(16-6)8-4-2-7(3-5-8)12(13,14)15/h2-5H,1H3,(H,19,20)