Cacotheline

Molecular Formula: C21H21N3O7


InChI: InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/f/h26H

InChIKey: InChIKey=IVEMPCACOMNRGI-HXTKINSTCG
SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O

Names:
    Cacotheline
    NSC5069
    561-20-6
    9,10-Secostrychnidin-10-oic acid, 2, 3-dihydro-4-nitro-2,3-dioxo-

Registries:
    PubChem CID 3246020
    PubChem ID 71233