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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCN(CCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNCCN(CCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H27N5O2/c22-21(23)16-4-2-15(3-5-16)14-20-12-10-18-7-1-6-17-8-9-19-11-13-20/h2-5,17-19H,1,6-14H2