2-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane trihydrochloride

Systemtic Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane trihydrochloride Openeye Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane trihydrochloride CAS Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane trihydrochloride IUPAC Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane trihydrochloride Traditional Name: 2-(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane trihydrochloride Formula: C15H28Cl3N5O2 MolecularWeight: 416.77412

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(CNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

C1CNCCNC(CNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C15H25N5O2.3ClH/c21-20(22)15-3-1-13(2-4-15)11-14-12-18-8-7-16-5-6-17-9-10-19-14;;;/h1-4,14,16-19H,5-12H2;3*1H