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

Systemtic Name: 5-methyl-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-methyl-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]isoxazole-3-carboxylic acid CAS Name: 5-methyl-4-[[4-nitro-3-(trifluoromethyl)-1-pyrazolyl]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-methyl-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-methyl-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]isoxazole-3-carboxylic acid Formula: C10H7F3N4O5 MolecularWeight: 320.18159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H7F3N4O5/c1-4-5(7(9(18)19)15-22-4)2-16-3-6(17(20)21)8(14-16)10(11,12)13/h3H,2H2,1H3,(H,18,19)