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

Systemtic Name: (4-butoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-butoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (4-butoxyphenyl) ester Formula: C20H15F6N3O5 MolecularWeight: 491.340619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

InChI

InChI=1S/C20H15F6N3O5/c1-2-3-8-33-12-4-6-13(7-5-12)34-18(30)28-14-9-11(19(21,22)23)10-15(29(31)32)16(14)27-17(28)20(24,25)26/h4-7,9-10H,2-3,8H2,1H3