4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Openeye Name: 4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid CAS Name: 4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Traditional Name: 4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Formula: C12H8F3N3O5 MolecularWeight: 331.20423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H8F3N3O5/c13-12(14,15)7-2-1-3-8(4-7)23-6-17-5-9(18(21)22)10(16-17)11(19)20/h1-5H,6H2,(H,19,20)