3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione

Systemtic Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione Openeye Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione CAS Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione IUPAC Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,6-dione Traditional Name: 3-(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane-2,6-quinone Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)CNC(C(=O)NCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=O)CNC(C(=O)NCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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