| Properties | Image |
|---|
| MNX_ID | MNXM107558 |
 |
| reference | chebi:67608 |
| formula | C12H15NO4 |
| global charge | 0 |
| mol weight | 237.255 |
| InChIKey | VHHVNQCXHWHJGF-VVQVOPMGSA-N |
| InChI | InChI=1S/C12H15NO4/c1-9-5-6-11(15)13(9)12(16)8-10(17-2)4-3-7-14/h3-6,8-9,14H,7H2,1-2H3/b4-3+,10-8+/t9-/m0/s1 |
| SMILES | COC(/C=C/CO)=C/C(=O)N1C(=O)C=C[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C12H15NO4/c1-9-5-6-11(15)13(9)12(16)8-10(17-2)4-3-7-14/h3-6,8-9,14H,7H2,1-2H3/b4-3+,10-8+/t9-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[CH:5]=[CH:6][C:11](=[O:15])[N:13]1[C:12](/[CH:8]=[C:10](\[CH:4]=[CH:3]\[CH2:7][OH:14])[O:17][CH3:2])=[O:16] |
|