(4-nitrophenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-nitrophenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (4-nitrophenyl) ester Formula: C16H6F6N4O6 MolecularWeight: 464.232459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

InChI

InChI=1S/C16H6F6N4O6/c17-15(18,19)7-5-10-12(11(6-7)26(30)31)23-13(16(20,21)22)24(10)14(27)32-9-3-1-8(2-4-9)25(28)29/h1-6H