1-[4-methyl-2-(3-nitrophenyl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,7-trien-3-yl]ethanone

Molecular Formula: C₁₃H₁₂N₆O₃

InChI: InChI=1/C13H12N6O3/c1-7-11(8(2)20)12(18-13(14-7)15-16-17-18)9-4-3-5-10(6-9)19(21)22/h3-6,12H,1-2H3,(H,14,15,17)/f/h17H

InChIKey: InChIKey=SMDRTJMQOWDRMV-HCKMINDGCT
SMILES: CC1=C(C(N2C(=N1)N=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Names:
    1-[4-methyl-2-(3-nitrophenyl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,7-trien-3-yl]ethanone

Registries:
    PubChem CID 6017541
    PubChem ID 6064277