compound 0289741

Properties Image MNX_ID MNXM1186687 reference envipathM:...aaa9c3315b7a formula C12H15N2O4 global charge -1 mol weight 251.262 InChIKey WBRAQULNOCYWTI-UHFFFAOYSA-M InChI InChI=1S/C12H16N2O4/c1-6(12(17)18)3-7(2)14-9-5-10(15)8(13)4-11(9)16/h4-7,14H,3,13H2,1-2H3,(H,17,18)/p-1 SMILES CC(CC(C)C(=O)[O-])NC1=CC(=O)C(N)=CC1=O MNX internals InChI (mnx) InChI=1/C12H16N2O4/c1-6(12(17)18)3-7(2)14-9-5-10(15)8(13)4-11(9)16/h4-7,14H,3,13H2,1-2H3,(H,17,18)/t6?,7? SMILES (mnx) [CH3:1][CH:6]([CH2:3][CH:7]([CH3:2])[NH:14][C:9]1=[CH:5][C:10](=[O:15])[C:8]([NH2:13])=[CH:4][C:11]1=[O:16])[C:12](=[O:17])[OH:18]

Parent-child relations graph

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