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

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

Systemtic Name:2,2-dimethylpropyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
Openeye Name:2,2-dimethylpropyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
CAS Name:4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid 2,2-dimethylpropyl ester
IUPAC Name:2,2-dimethylpropyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
Traditional Name:4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid neopentyl ester
Formula: C15H13F6N3O4
MolecularWeight: 413.271839
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H13F6N3O4/c1-13(2,3)6-28-12(25)23-8-4-7(14(16,17)18)5-9(24(26)27)10(8)22-11(23)15(19,20)21/h4-5H,6H2,1-3H3


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