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

Systemtic Name: (4-propan-2-ylphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (4-isopropylphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid p-cumenyl ester Formula: C19H13F6N3O4 MolecularWeight: 461.314639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C19H13F6N3O4/c1-9(2)10-3-5-12(6-4-10)32-17(29)27-13-7-11(18(20,21)22)8-14(28(30)31)15(13)26-16(27)19(23,24)25/h3-9H,1-2H3