6-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazacyclotridecane hydrochloride

Systemtic Name: 6-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazacyclotridecane hydrochloride Openeye Name: 6-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazacyclotridecane hydrochloride CAS Name: 6-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazacyclotridecane hydrochloride IUPAC Name: 6-[(4-nitrophenyl)methyl]-1,2,3,4-tetrazacyclotridecane hydrochloride Traditional Name: 6-(4-nitrobenzyl)-1,2,3,4-tetrazacyclotridecane hydrochloride Formula: C16H28ClN5O2 MolecularWeight: 357.87882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CNNNNCCC1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCC(CNNNNCCC1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H27N5O2.ClH/c22-21(23)16-9-7-14(8-10-16)12-15-6-4-2-1-3-5-11-17-19-20-18-13-15;/h7-10,15,17-20H,1-6,11-13H2;1H