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

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

Systemtic Name:2-chloranylheptyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
Openeye Name:2-chloroheptyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
CAS Name:4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid 2-chloroheptyl ester
IUPAC Name:2-chloroheptyl 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate
Traditional Name:4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid 2-chloroheptyl ester
Formula: C17H16ClF6N3O4
MolecularWeight: 475.770059
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H16ClF6N3O4/c1-2-3-4-5-10(18)8-31-15(28)26-11-6-9(16(19,20)21)7-12(27(29)30)13(11)25-14(26)17(22,23)24/h6-7,10H,2-5,8H2,1H3


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