| Properties | Image |
|---|
| MNX_ID | MNXM1187980 |
 |
| reference | envipathM:...d2aee717b3d5 |
| formula | C13H19N2O7 |
| global charge | -1 |
| mol weight | 315.302 |
| InChIKey | OTJABQYABCNGOS-WMZJFQQLSA-M |
| InChI | InChI=1S/C13H20N2O7/c1-4-10(9(6-16)12(20)13(21)22)14-11(19)5-15(7(2)17)8(3)18/h4,6-9,17-18H,5H2,1-3H3,(H,14,19)(H,21,22)/p-1/b10-4- |
| SMILES | C/C=C(\N=C(/O)CN(C(C)O)C(C)O)C(C=O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C13H20N2O7/c1-4-10(9(6-16)12(20)13(21)22)14-11(19)5-15(7(2)17)8(3)18/h4,6-9,17-18H,5H2,1-3H3,(H,14,19)(H,21,22)/b10-4-/t7?,8?,9? |
 |
| SMILES (mnx) | [CH3:1]/[CH:4]=[C:10]([CH:9]([CH:6]=[O:16])[C:12]([C:13]([OH:21])=[O:22])=[O:20])\[N:14]=[C:11](\[CH2:5][N:15]([CH:7]([CH3:2])[OH:17])[CH:8]([CH3:3])[OH:18])[OH:19] |
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