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

Systemtic Name: 5-ethyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-ethyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-ethyl-4-nitro-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-ethyl-4-nitro-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O4/c1-2-9-10(19(22)23)11(12(20)21)18(17-9)8-5-3-7(4-6-8)13(14,15)16/h3-6H,2H2,1H3,(H,20,21)