(2S,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171727 reference chebi:101365 formula C19H16N2O4 global charge 0 mol weight 336.347 InChIKey NUSFKYNBTAYYBW-VKJFTORMSA-N InChI InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18+/m1/s1 SMILES N#C[C@@H]1[C@H](C2=CC=CC=C2)[C@H](CO)N1C(=O)C1=CC2=C(C=C1)OCO2 MNX internals InChI (mnx) InChI=1/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:12]([C@H:18]2[C@@H:14]([C:9]#[N:20])[N:21]([C:19]([C:13]3=[CH:8][C:17]4=[C:16]([CH:7]=[CH:6]3)[O:24][CH2:11][O:25]4)=[O:23])[C@H:15]2[CH2:10][OH:22])[CH:5]=[CH:3]1

Parent-child relations graph

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