7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone

Systemtic Name: 7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone Openeye Name: 7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone CAS Name: 7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone IUPAC Name: 7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone Traditional Name: 7,14-bis(2-nitrophenyl)-1,4,8,11-tetrazacyclotetradecane-2,5,9,12-diquinone Formula: C22H22N6O8 MolecularWeight: 498.44548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)CNC(=O)CC(NC(=O)CNC1=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C(NC(=O)CNC(=O)CC(NC(=O)CNC1=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O8/c29-19-9-15(13-5-1-3-7-17(13)27(33)34)25-21(31)11-24-20(30)10-16(26-22(32)12-23-19)14-6-2-4-8-18(14)28(35)36/h1-8,15-16H,9-12H2,(H,23,29)(H,24,30)(H,25,31)(H,26,32)