| Properties | Image |
|---|
| MNX_ID | MNXM1171029 |
 |
| reference | envipathM:...4e6afb4df64b |
| formula | C19H20N2O7 |
| global charge | 0 |
| mol weight | 388.376 |
| InChIKey | KALDMNAUUJNEOC-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H20N2O7/c22-8-7-15(24)10-28-19(27)21-16-6-3-13(17(25)18(16)26)9-12-1-4-14(5-2-12)20-11-23/h1-6,15,22,24-26H,7-10H2,(H,21,27) |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCO)C(O)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H20N2O7/c22-8-7-15(24)10-28-19(27)21-16-6-3-13(17(25)18(16)26)9-12-1-4-14(5-2-12)20-11-23/h1-6,15,22,24-26H,7-10H2,(H,21,27)/t15? |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:14]([N:20]=[C:11]=[O:23])=[CH:5][CH:2]=[C:12]1[CH2:9][C:13]1=[C:17]([OH:25])[C:18]([OH:26])=[C:16]([N:21]=[C:19]([OH:27])[O:28][CH2:10][CH:15]([CH2:7][CH2:8][OH:22])[OH:24])[CH:6]=[CH:3]1 |
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