| Properties | Image |
|---|
| MNX_ID | MNXM167852 |
 |
| reference | sabiorkM:20758 |
| formula | C21H22N4O6 |
| global charge | 0 |
| mol weight | 426.429 |
| InChIKey | UTXSFKPOIVELPQ-SFHVURJKSA-N |
| InChI | InChI=1S/C21H22N4O6/c26-19(13-22-21(28)31-14-15-5-2-1-3-6-15)24-12-4-7-18(24)20(27)23-16-8-10-17(11-9-16)25(29)30/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,28)(H,23,27)/t18-/m0/s1 |
| SMILES | O=C(NC1=CC=C([N+](=O)[O-])C=C1)[C@@H]1CCCN1C(=O)CN=C(O)OCC1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H22N4O6/c26-19(13-22-21(28)31-14-15-5-2-1-3-6-15)24-12-4-7-18(24)20(27)23-16-8-10-17(11-9-16)25(29)30/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,28)(H,23,27)/t18-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:15]([CH2:14][O:31][C:21](=[N:22][CH2:13][C:19]([N:24]2[CH2:12][CH2:4][CH2:7][C@H:18]2[C:20]([NH:23][C:16]2=[CH:9][CH:11]=[C:17]([N+:25]([O-:29])=[O:30])[CH:10]=[CH:8]2)=[O:27])=[O:26])[OH:28])[CH:6]=[CH:3]1 |
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