coumarin 30

Properties Image MNX_ID MNXM47739 reference chebi:51939 formula C21H21N3O2 global charge 0 mol weight 347.418 InChIKey JRUYYVYCSJCVMP-UHFFFAOYSA-N InChI InChI=1S/C21H21N3O2/c1-4-24(5-2)14-10-11-15-16(13-20(25)26-19(15)12-14)21-22-17-8-6-7-9-18(17)23(21)3/h6-13H,4-5H2,1-3H3 SMILES CCN(CC)C1=CC=C2C(=C1)OC(=O)C=C2C1=NC2=CC=CC=C2N1C MNX internals InChI (mnx) InChI=1/C21H21N3O2/c1-4-24(5-2)14-10-11-15-16(13-20(25)26-19(15)12-14)21-22-17-8-6-7-9-18(17)23(21)3/h6-13H,4-5H2,1-3H3 SMILES (mnx) [CH3:1][CH2:4][N:24]([CH2:5][CH3:2])[C:14]1=[CH:12][C:19]2=[C:15]([CH:11]=[CH:10]1)[C:16]([C:21]1=[N:22][C:17]3=[CH:8][CH:6]=[CH:7][CH:9]=[C:18]3[N:23]1[CH3:3])=[CH:13][C:20](=[O:25])[O:26]2

Parent-child relations graph

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