1-acetyl-3-methoxycarbonyl-beta-carboline

Properties Image MNX_ID MNXM101254 reference chebi:70227 formula C15H12N2O3 global charge 0 mol weight 268.272 InChIKey SBZMZGWZRHSWRX-UHFFFAOYSA-N InChI InChI=1S/C15H12N2O3/c1-8(18)13-14-10(7-12(17-13)15(19)20-2)9-5-3-4-6-11(9)16-14/h3-7,16H,1-2H3 SMILES COC(=O)C1=CC2=C(NC3=CC=CC=C32)C(C(C)=O)=N1 MNX internals InChI (mnx) InChI=1/C15H12N2O3/c1-8(18)13-14-10(7-12(17-13)15(19)20-2)9-5-3-4-6-11(9)16-14/h3-7,16H,1-2H3 SMILES (mnx) [CH3:1][C:8]([C:13]1=[C:14]2[C:10](=[CH:7][C:12]([C:15](=[O:19])[O:20][CH3:2])=[N:17]1)[C:9]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:11]1[NH:16]2)=[O:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0