Benzyl-S-dihydroorotate

Properties Image MNX_ID MNXM167165 reference sabiorkM:25397 formula C12H12N2O4 global charge 0 mol weight 248.238 InChIKey DMGMPDOQCXKWBA-UHFFFAOYSA-N InChI InChI=1S/C12H12N2O4/c15-10-6-9(11(16)17)13-12(18)14(10)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,16,17) SMILES O=C(O)C1CC(=O)N(CC2=CC=CC=C2)C(O)=N1 MNX internals InChI (mnx) InChI=1/C12H12N2O4/c15-10-6-9(11(16)17)13-12(18)14(10)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,16,17)/t9? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:7][N:14]2[C:10](=[O:15])[CH2:6][CH:9]([C:11](=[O:16])[OH:17])[N:13]=[C:12]2[OH:18])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0