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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F6N3O4/c1-3-6(2)27-12(24)22-8-4-7(13(15,16)17)5-9(23(25)26)10(8)21-11(22)14(18,19)20/h4-6H,3H2,1-2H3