| Properties | Image |
|---|
| MNX_ID | MNXM1172663 |
 |
| reference | envipathM:...750bedcd19c6 |
| formula | C20H15ClFN4O10 |
| global charge | -1 |
| mol weight | 525.809 |
| InChIKey | OAWLGICVDYCMMU-MFKUBSTISA-M |
| InChI | InChI=1S/C20H16ClFN4O10/c1-8(13(21)16(29)20(30)31)35-17-14(22)18(24-7-23-17)36-12-6-11(28)10(27)5-9(12)15(25-32-2)19-26-34-4-3-33-19/h5-7,13,27-28H,1,3-4H2,2H3,(H,30,31)/p-1/b25-15+ |
| SMILES | C=C(OC1=NC=NC(OC2=CC(O)=C(O)C=C2/C(=N\OC)C2=NOCCO2)=C1F)C(Cl)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H16ClFN4O10/c1-8(13(21)16(29)20(30)31)35-17-14(22)18(24-7-23-17)36-12-6-11(28)10(27)5-9(12)15(25-32-2)19-26-34-4-3-33-19/h5-7,13,27-28H,1,3-4H2,2H3,(H,30,31)/b25-15+/t13? |
 |
| SMILES (mnx) | [CH2:1]=[C:8]([CH:13]([C:16]([C:20]([OH:30])=[O:31])=[O:29])[Cl:21])[O:35][C:17]1=[C:14]([F:22])[C:18]([O:36][C:12]2=[CH:6][C:11]([OH:28])=[C:10]([OH:27])[CH:5]=[C:9]2/[C:15]([C:19]2=[N:26][O:34][CH2:4][CH2:3][O:33]2)=[N:25]\[O:32][CH3:2])=[N:24][CH:7]=[N:23]1 |
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