13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one

Systemtic Name: 13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one Openeye Name: 13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one CAS Name: 13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one IUPAC Name: 13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one Traditional Name: 13-nitro-4,11-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-2-one Formula: C14H19N3O3 MolecularWeight: 277.31896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCNC2=C(C=C(C=C2)C(=O)CNCC1)[N+](=O)[O-]

Isomeric SMILES

C1CCCNC2=C(C=C(C=C2)C(=O)CNCC1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c18-14-10-15-7-3-1-2-4-8-16-12-6-5-11(14)9-13(12)17(19)20/h5-6,9,15-16H,1-4,7-8,10H2