2-(2-fluorophenyl)propyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: 2-(2-fluorophenyl)propyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: 2-(2-fluorophenyl)propyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid 2-(2-fluorophenyl)propyl ester IUPAC Name: 2-(2-fluorophenyl)propyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid 2-(2-fluorophenyl)propyl ester Formula: C19H12F7N3O4 MolecularWeight: 479.305102

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F)C3=CC=CC=C3F

Isomeric SMILES

CC(COC(=O)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=C1C(F)(F)F)C3=CC=CC=C3F

InChI

InChI=1S/C19H12F7N3O4/c1-9(11-4-2-3-5-12(11)20)8-33-17(30)28-15-13(27-16(28)19(24,25)26)6-10(18(21,22)23)7-14(15)29(31)32/h2-7,9H,8H2,1H3