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

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-1,4,7,10-tetrazacyclododecane Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-1,4,7,10-tetrazacyclododecane CAS Name: 1-[2-(4-nitrophenyl)ethyl]-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-1,4,7,10-tetrazacyclododecane Traditional Name: 1-[2-(4-nitrophenyl)ethyl]-1,4,7,10-tetrazacyclododecane Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(CCNCCN1)CCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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