| Properties | Image |
|---|
| MNX_ID | MNXM1173760 |
 |
| reference | envipathM:...fa9358815850 |
| formula | C19H24ClN2O6 |
| global charge | -1 |
| mol weight | 411.862 |
| InChIKey | OEPSNPSUZDNHOU-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H25ClN2O6/c1-4-27-18(25)28-16(19(21)7-9-22(26-3)10-8-19)15(17(23)24)14-6-5-13(20)11-12(14)2/h5-6,11H,4,7-10,21H2,1-3H3,(H,23,24)/p-1 |
| SMILES | CCOC(=O)OC(=C(C(=O)[O-])C1=CC=C(Cl)C=C1C)C1(N)CCN(OC)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C19H25ClN2O6/c1-4-27-18(25)28-16(19(21)7-9-22(26-3)10-8-19)15(17(23)24)14-6-5-13(20)11-12(14)2/h5-6,11H,4,7-10,21H2,1-3H3,(H,23,24)/b16-15? |
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| SMILES (mnx) | [CH3:1][CH2:4][O:27][C:18](=[O:25])[O:28][C:16](=[C:15]([C:14]1=[C:12]([CH3:2])[CH:11]=[C:13]([Cl:20])[CH:5]=[CH:6]1)[C:17](=[O:23])[OH:24])[C:19]1([NH2:21])[CH2:7][CH2:9][N:22]([O:26][CH3:3])[CH2:10][CH2:8]1 |
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