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

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H5ClF6N4O6 MolecularWeight: 498.677519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H5ClF6N4O6/c17-8-5-7(26(29)30)1-2-11(8)33-14(28)25-12-9(24-13(25)16(21,22)23)3-6(15(18,19)20)4-10(12)27(31)32/h1-5H