(4-tert-butylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: (4-tert-butylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-tert-butylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (4-tert-butylphenyl) ester Formula: C20H15F6N3O4 MolecularWeight: 475.341219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F6N3O4/c1-18(2,3)10-4-6-12(7-5-10)33-17(30)28-15-13(27-16(28)20(24,25)26)8-11(19(21,22)23)9-14(15)29(31)32/h4-9H,1-3H3