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

Systemtic Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane Openeye Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane CAS Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane IUPAC Name: 12-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecane Traditional Name: 12-(4-nitrobenzyl)-1,4,7,10-tetrazacyclotridecane Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O2/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