| Properties | Image |
|---|
| MNX_ID | MNXM161668 |
 |
| reference | keggD:D10190 |
| formula | C22H22Cl2N4O6 |
| global charge | 0 |
| mol weight | 509.346 |
| InChIKey | RQXMKRRBJITKRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H19ClN4O5.ClH.H2O/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18;;/h4-11H,1-3H3,(H2,25,26,27,28);1H;1H2 |
| SMILES | COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC(Cl)=C(NC(=O)NC2=NOC(C)=C2)C=C1.Cl.O |
MNX internals
| InChI (mnx) | InChI=1/C22H19ClN4O5.ClH.H2O/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18;;/h4-11H,1-3H3,(H2,25,26,27,28);1H;1H2 |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:8][C:21](=[N:26][C:22](=[N:25][C:16]2=[C:15]([Cl:23])[CH:9]=[C:13]([O:31][C:18]3=[C:14]4[CH:10]=[C:19]([O:29][CH3:2])[C:20]([O:30][CH3:3])=[CH:11][C:17]4=[N:24][CH:7]=[CH:6]3)[CH:4]=[CH:5]2)[OH:28])[NH:27][O:32]1.[ClH:33].[OH2:34] |
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