5-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-nitro-3-(trifluoromethyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-furoic acid Formula: C10H6F3N3O5 MolecularWeight: 305.16695

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H6F3N3O5/c11-10(12,13)8-6(16(19)20)4-15(14-8)3-5-1-2-7(21-5)9(17)18/h1-2,4H,3H2,(H,17,18)