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

Systemtic Name: (2,4-dinitrophenyl)methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (2,4-dinitrophenyl)methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (2,4-dinitrophenyl)methyl ester IUPAC Name: (2,4-dinitrophenyl)methyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (2,4-dinitrobenzyl) ester Formula: C17H7F6N5O8 MolecularWeight: 523.256599

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H7F6N5O8/c18-16(19,20)8-3-10-13(12(4-8)28(34)35)25(14(24-10)17(21,22)23)15(29)36-6-7-1-2-9(26(30)31)5-11(7)27(32)33/h1-5H,6H2