12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one

Systemtic Name: 12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one Openeye Name: 12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one CAS Name: 12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one IUPAC Name: 12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one Traditional Name: 12-nitro-4,10-diazabicyclo[9.2.2]pentadeca-1(13),11,14-trien-2-one Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(=O)C2=CC(=C(C=C2)NCC1)[N+](=O)[O-]

Isomeric SMILES

C1CCNCC(=O)C2=CC(=C(C=C2)NCC1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c17-13-9-14-6-2-1-3-7-15-11-5-4-10(13)8-12(11)16(18)19/h4-5,8,14-15H,1-3,6-7,9H2