| Properties | Image |
|---|
| MNX_ID | MNXM1182009 |
 |
| reference | envipathM:...a626cc6eaac3 |
| formula | C20H19N2O7 |
| global charge | -1 |
| mol weight | 399.379 |
| InChIKey | KGXBLPGFUBCRIQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H20N2O7/c23-13-21-16-5-1-14(2-6-16)11-15-3-7-17(8-4-15)22-19(25)28-10-9-18(24)12-29-20(26)27/h1-8,18,24H,9-12H2,(H,22,25)(H,26,27)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCCC(O)COC(=O)[O-])C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H20N2O7/c23-13-21-16-5-1-14(2-6-16)11-15-3-7-17(8-4-15)22-19(25)28-10-9-18(24)12-29-20(26)27/h1-8,18,24H,9-12H2,(H,22,25)(H,26,27)/t18? |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:16]([N:21]=[C:13]=[O:23])=[CH:6][CH:2]=[C:14]1[CH2:11][C:15]1=[CH:4][CH:8]=[C:17]([NH:22][C:19](=[O:25])[O:28][CH2:10][CH2:9][CH:18]([CH2:12][O:29][C:20](=[O:26])[OH:27])[OH:24])[CH:7]=[CH:3]1 |
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