monohydroxylated nifedipine

Properties Image MNX_ID MNXM1104221 reference chebi:234254 formula C17H18N2O7 global charge 0 mol weight 362.338 InChIKey KERNBXOJWUHRFF-UHFFFAOYSA-N InChI InChI=1S/C17H18N2O7/c1-9-13(16(21)25-2)14(10-6-4-5-7-12(10)19(23)24)15(17(22)26-3)11(8-20)18-9/h4-7,14,18,20H,8H2,1-3H3 SMILES COC(=O)C1=C(C)NC(CO)=C(C(=O)OC)C1C1=C([N+](=O)[O-])C=CC=C1 MNX internals InChI (mnx) InChI=1/C17H18N2O7/c1-9-13(16(21)25-2)14(10-6-4-5-7-12(10)19(23)24)15(17(22)26-3)11(8-20)18-9/h4-7,14,18,20H,8H2,1-3H3/t14? SMILES (mnx) [CH3:1][C:9]1=[C:13]([C:16](=[O:21])[O:25][CH3:2])[CH:14]([C:10]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:12]2[N+:19]([O-:23])=[O:24])[C:15]([C:17](=[O:22])[O:26][CH3:3])=[C:11]([CH2:8][OH:20])[NH:18]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 3