1-[(4-chloranyl-3-nitro-phenyl)methyl]azocan-2-one

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]azocan-2-one Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]azocan-2-one CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-2-azocanone IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]azocan-2-one Traditional Name: 1-(4-chloro-3-nitro-benzyl)azocan-2-one Formula: C14H17ClN2O3 MolecularWeight: 296.74938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O3/c15-12-7-6-11(9-13(12)17(19)20)10-16-8-4-2-1-3-5-14(16)18/h6-7,9H,1-5,8,10H2