methyl 6-nitro-1-oxidanyl-4-(trifluoromethyl)benzimidazole-2-carboxylate

Systemtic Name: methyl 6-nitro-1-oxidanyl-4-(trifluoromethyl)benzimidazole-2-carboxylate Openeye Name: methyl 1-hydroxy-6-nitro-4-(trifluoromethyl)benzimidazole-2-carboxylate CAS Name: 1-hydroxy-6-nitro-4-(trifluoromethyl)-2-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-hydroxy-6-nitro-4-(trifluoromethyl)benzimidazole-2-carboxylate Traditional Name: 1-hydroxy-6-nitro-4-(trifluoromethyl)benzimidazole-2-carboxylic acid methyl ester Formula: C10H6F3N3O5 MolecularWeight: 305.16695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(N1O)C=C(C=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NC2=C(N1O)C=C(C=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H6F3N3O5/c1-21-9(17)8-14-7-5(10(11,12)13)2-4(16(19)20)3-6(7)15(8)18/h2-3,18H,1H3