| Properties | Image |
|---|
| MNX_ID | MNXM1186610 |
 |
| reference | envipathM:...1db2a569aca9 |
| formula | C12H15N2O7 |
| global charge | -1 |
| mol weight | 299.259 |
| InChIKey | PQMMKVVSPVSVBP-QLKAYGNNSA-M |
| InChI | InChI=1S/C12H16N2O7/c1-5-2-6(16)11(19)9(12(20)21)10(5)13-3-7(17)14-8(18)4-15/h2-3,7-8,14-19H,4H2,1H3,(H,20,21)/p-1/b13-3+ |
| SMILES | CC1=C(/N=C/C(O)NC(O)CO)C(C(=O)[O-])=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H16N2O7/c1-5-2-6(16)11(19)9(12(20)21)10(5)13-3-7(17)14-8(18)4-15/h2-3,7-8,14-19H,4H2,1H3,(H,20,21)/b13-3+/t7?,8? |
 |
| SMILES (mnx) | [CH3:1][C:5]1=[CH:2][C:6]([OH:16])=[C:11]([OH:19])[C:9]([C:12](=[O:20])[OH:21])=[C:10]1/[N:13]=[CH:3]/[CH:7]([NH:14][CH:8]([CH2:4][OH:15])[OH:18])[OH:17] |
|