| Properties | Image |
|---|
| MNX_ID | MNXM1182118 |
 |
| reference | envipathM:...8d01f0673ac1 |
| formula | C20H22N3O7 |
| global charge | -1 |
| mol weight | 416.41 |
| InChIKey | VJJKCOFXFHCGKN-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H23N3O7/c21-15-5-1-13(2-6-15)11-14-3-7-16(8-4-14)22-19(27)30-12-17(24)9-10-29-20(28)23-18(25)26/h1-8,17,24H,9-12,21H2,(H,22,27)(H,23,28)(H,25,26)/p-1 |
| SMILES | NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC(=O)[O-])C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H23N3O7/c21-15-5-1-13(2-6-15)11-14-3-7-16(8-4-14)22-19(27)30-12-17(24)9-10-29-20(28)23-18(25)26/h1-8,17,24H,9-12,21H2,(H,22,27)(H,23,28)(H,25,26)/t17? |
 |
| SMILES (mnx) | [CH:1]1=[CH:5][C:15]([NH2:21])=[CH:6][CH:2]=[C:13]1[CH2:11][C:14]1=[CH:4][CH:8]=[C:16]([NH:22][C:19](=[O:27])[O:30][CH2:12][CH:17]([CH2:9][CH2:10][O:29][C:20]([NH:23][C:18]([OH:25])=[O:26])=[O:28])[OH:24])[CH:7]=[CH:3]1 |
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