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

Systemtic Name: (phenylmethyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: benzyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid benzyl ester Formula: C17H9F6N3O4 MolecularWeight: 433.261479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9F6N3O4/c18-16(19,20)10-6-11-13(12(7-10)26(28)29)24-14(17(21,22)23)25(11)15(27)30-8-9-4-2-1-3-5-9/h1-7H,8H2