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1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane

1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane

Systemtic Name:1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane
Openeye Name:1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane
CAS Name:1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane
IUPAC Name:1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane
Traditional Name:1-[2,6-dinitro-4-(trifluoromethyl)phenyl]azepane
Formula: C13H14F3N3O4
MolecularWeight: 333.26317
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C13H14F3N3O4/c14-13(15,16)9-7-10(18(20)21)12(11(8-9)19(22)23)17-5-3-1-2-4-6-17/h7-8H,1-6H2


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