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

Systemtic Name: (4-tert-butylphenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C21H17F6N3O4 MolecularWeight: 489.367799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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

CC(C)(C)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/C21H17F6N3O4/c1-19(2,3)12-6-4-11(5-7-12)10-34-18(31)29-14-8-13(20(22,23)24)9-15(30(32)33)16(14)28-17(29)21(25,26)27/h4-9H,10H2,1-3H3