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

Systemtic Name: (4-nitrophenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H8F6N4O6 MolecularWeight: 478.259039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H8F6N4O6/c18-16(19,20)9-5-11-13(12(6-9)27(31)32)24-14(17(21,22)23)25(11)15(28)33-7-8-1-3-10(4-2-8)26(29)30/h1-6H,7H2