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

Systemtic Name: butyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: butyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid butyl ester IUPAC Name: butyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid butyl ester Formula: C14H11F6N3O4 MolecularWeight: 399.245259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F6N3O4/c1-2-3-4-27-12(24)22-8-5-7(13(15,16)17)6-9(23(25)26)10(8)21-11(22)14(18,19)20/h5-6H,2-4H2,1H3