(2,4-dimethylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (2,4-dimethylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (2,4-dimethylphenyl) ester Formula: C18H11F6N3O4 MolecularWeight: 447.288059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F)C

InChI

InChI=1S/C18H11F6N3O4/c1-8-3-4-13(9(2)5-8)31-16(28)26-14-11(25-15(26)18(22,23)24)6-10(17(19,20)21)7-12(14)27(29)30/h3-7H,1-2H3