3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Systemtic Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Openeye Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone CAS Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone IUPAC Name: 3-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Traditional Name: 3-(4-nitrobenzyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-diquinone Formula: C15H17N5O6 MolecularWeight: 363.32538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O6/c21-12-6-16-13(22)7-18-15(24)11(19-14(23)8-17-12)5-9-1-3-10(4-2-9)20(25)26/h1-4,11H,5-8H2,(H,16,22)(H,17,21)(H,18,24)(H,19,23)