N-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecan-12-amine

Systemtic Name: N-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecan-12-amine Openeye Name: N-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecan-12-amine CAS Name: N-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecan-12-amine IUPAC Name: N-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclotridecan-12-amine Traditional Name: (4-nitrobenzyl)-(1,4,7,10-tetrazacyclotridec-12-yl)amine Formula: C16H28N6O2 MolecularWeight: 336.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCN1)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNCC(CNCCN1)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H28N6O2/c23-22(24)16-3-1-14(2-4-16)11-21-15-12-19-9-7-17-5-6-18-8-10-20-13-15/h1-4,15,17-21H,5-13H2