1-[(2-chloranyl-5-nitro-phenyl)methyl]azepane

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]azepane Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]azepane CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]azepane IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]azepane Traditional Name: 1-(2-chloro-5-nitro-benzyl)azepane Formula: C13H17ClN2O2 MolecularWeight: 268.73928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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