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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]azocan-2-one Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]azocan-2-one CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-2-azocanone IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]azocan-2-one Traditional Name: 1-(2-chloro-5-nitro-benzyl)azocan-2-one Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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