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

Systemtic Name: (2-pentylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (2-pentylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (2-pentylphenyl) ester IUPAC Name: (2-pentylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (2-amylphenyl) ester Formula: C21H17F6N3O4 MolecularWeight: 489.367799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=CC=C1OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F

InChI

InChI=1S/C21H17F6N3O4/c1-2-3-4-7-12-8-5-6-9-16(12)34-19(31)29-17-14(28-18(29)21(25,26)27)10-13(20(22,23)24)11-15(17)30(32)33/h5-6,8-11H,2-4,7H2,1H3