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

Systemtic Name: 5-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,9-dione Openeye Name: 5-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,9-dione CAS Name: 5-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,9-dione IUPAC Name: 5-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,9-dione Traditional Name: 5-(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane-2,9-quinone Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c21-14-9-16-8-12(19-10-15(22)18-6-5-17-14)7-11-1-3-13(4-2-11)20(23)24/h1-4,12,16,19H,5-10H2,(H,17,21)(H,18,22)