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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1COC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

Isomeric SMILES

CC(C)OC1=CC=CC=C1COC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F

InChI

InChI=1S/C20H15F6N3O5/c1-10(2)34-15-6-4-3-5-11(15)9-33-18(30)28-13-7-12(19(21,22)23)8-14(29(31)32)16(13)27-17(28)20(24,25)26/h3-8,10H,9H2,1-2H3