1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C11H6F3N3O4 MolecularWeight: 301.17825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=CC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C11H6F3N3O4/c12-11(13,14)6-1-2-8(9(5-6)17(20)21)16-4-3-7(15-16)10(18)19/h1-5H,(H,18,19)