8-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,9-trione

Systemtic Name: 8-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,9-trione Openeye Name: 8-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,9-trione CAS Name: 8-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,9-trione IUPAC Name: 8-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,9-trione Traditional Name: 8-(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane-2,5,9-trione Formula: C15H19N5O5 MolecularWeight: 349.34186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(NCC(=O)NCC(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=O)C(NCC(=O)NCC(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5/c21-13-9-19-14(22)8-18-12(15(23)17-6-5-16-13)7-10-1-3-11(4-2-10)20(24)25/h1-4,12,18H,5-9H2,(H,16,21)(H,17,23)(H,19,22)