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

Systemtic Name: propan-2-yl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: isopropyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid isopropyl ester Formula: C13H9F6N3O4 MolecularWeight: 385.218679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])N=C1C(F)(F)F

InChI

InChI=1S/C13H9F6N3O4/c1-5(2)26-11(23)21-7-3-6(12(14,15)16)4-8(22(24)25)9(7)20-10(21)13(17,18)19/h3-5H,1-2H3