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1-[4-(chloromethyl)-2-nitro-phenyl]azepane

1-[4-(chloromethyl)-2-nitro-phenyl]azepane

Systemtic Name:1-[4-(chloromethyl)-2-nitro-phenyl]azepane
Openeye Name:1-[4-(chloromethyl)-2-nitro-phenyl]azepane
CAS Name:1-[4-(chloromethyl)-2-nitrophenyl]azepane
IUPAC Name:1-[4-(chloromethyl)-2-nitrophenyl]azepane
Traditional Name:1-[4-(chloromethyl)-2-nitro-phenyl]azepane
Formula: C13H17ClN2O2
MolecularWeight: 268.73928
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17ClN2O2/c14-10-11-5-6-12(13(9-11)16(17)18)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2


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