12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane hydrochloride

Systemtic Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane hydrochloride Openeye Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane hydrochloride CAS Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane hydrochloride IUPAC Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane hydrochloride Traditional Name: 12-(4-nitrobenzyl)-1,4,7,10-tetrazacyclotridecane hydrochloride Formula: C16H28ClN5O2 MolecularWeight: 357.87882

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNCCNCC(CNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H27N5O2.ClH/c22-21(23)16-3-1-14(2-4-16)11-15-12-19-9-7-17-5-6-18-8-10-20-13-15;/h1-4,15,17-20H,5-13H2;1H