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

Systemtic Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C14H12F3N3O4 MolecularWeight: 343.25799

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O4/c1-2-3-10-11(20(23)24)12(13(21)22)19(18-10)9-6-4-8(5-7-9)14(15,16)17/h4-7H,2-3H2,1H3,(H,21,22)