| Properties | Image |
|---|
| MNX_ID | MNXM1185727 |
 |
| reference | envipathM:...0731663bf7a5 |
| formula | C19H20N2O7 |
| global charge | 0 |
| mol weight | 388.376 |
| InChIKey | FBBRRBWUIDBUIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H20N2O7/c22-9-16(24)17(25)10-28-19(27)21-15-7-3-13(4-8-15)18(26)12-1-5-14(6-2-12)20-11-23/h1-8,16-18,22,24-26H,9-10H2,(H,21,27) |
| SMILES | O=C=NC1=CC=C(C(O)C2=CC=C(NC(=O)OCC(O)C(O)CO)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H20N2O7/c22-9-16(24)17(25)10-28-19(27)21-15-7-3-13(4-8-15)18(26)12-1-5-14(6-2-12)20-11-23/h1-8,16-18,22,24-26H,9-10H2,(H,21,27)/t16?,17?,18? |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:14]([N:20]=[C:11]=[O:23])=[CH:6][CH:2]=[C:12]1[CH:18]([C:13]1=[CH:4][CH:8]=[C:15]([NH:21][C:19](=[O:27])[O:28][CH2:10][CH:17]([CH:16]([CH2:9][OH:22])[OH:24])[OH:25])[CH:7]=[CH:3]1)[OH:26] |
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