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

Systemtic Name: 1-[2-(chloromethyl)-4-nitro-phenyl]azepane Openeye Name: 1-[2-(chloromethyl)-4-nitro-phenyl]azepane CAS Name: 1-[2-(chloromethyl)-4-nitrophenyl]azepane IUPAC Name: 1-[2-(chloromethyl)-4-nitrophenyl]azepane Traditional Name: 1-[2-(chloromethyl)-4-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)[N+](=O)[O-])CCl

Isomeric SMILES

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

InChI

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