| Properties | Image |
|---|
| MNX_ID | MNXM1196856 |
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| reference | envipathM:...e1b2f0e31b33 |
| formula | C20H22ClN2O8 |
| global charge | -1 |
| mol weight | 453.855 |
| InChIKey | NWXGJTDKIOWFSI-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H23ClN2O8/c1-3-30-19(28)31-17(20(22)4-6-23(29-2)7-5-20)16(18(26)27)15-12(10-24)8-14(21)9-13(15)11-25/h8-11H,3-7,22H2,1-2H3,(H,26,27)/p-1 |
| SMILES | CCOC(=O)OC(=C(C(=O)[O-])C1=C(C=O)C=C(Cl)C=C1C=O)C1(N)CCN(OC)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H23ClN2O8/c1-3-30-19(28)31-17(20(22)4-6-23(29-2)7-5-20)16(18(26)27)15-12(10-24)8-14(21)9-13(15)11-25/h8-11H,3-7,22H2,1-2H3,(H,26,27)/b17-16? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][O:30][C:19](=[O:28])[O:31][C:17](=[C:16]([C:15]1=[C:13]([CH:11]=[O:25])[CH:9]=[C:14]([Cl:21])[CH:8]=[C:12]1[CH:10]=[O:24])[C:18](=[O:26])[OH:27])[C:20]1([NH2:22])[CH2:4][CH2:6][N:23]([O:29][CH3:2])[CH2:7][CH2:5]1 |
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