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

Systemtic Name: 1-[(5-chloranyl-2-nitro-phenyl)methyl]azepane Openeye Name: 1-[(5-chloro-2-nitro-phenyl)methyl]azepane CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]azepane IUPAC Name: 1-[(5-chloro-2-nitrophenyl)methyl]azepane Traditional Name: 1-(5-chloro-2-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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