| Properties | Image |
|---|
| MNX_ID | MNXM1180217 |
 |
| reference | envipathM:...87163a694420 |
| formula | C21H17FN4O8 |
| global charge | 0 |
| mol weight | 472.385 |
| InChIKey | FIDRZBBFWVYBNU-KOEQRZSOSA-N |
| InChI | InChI=1S/C21H17FN4O8/c1-30-25-17(21-26-31-9-15(28)34-21)11-5-2-3-7-13(11)32-19-16(22)20(24-10-23-19)33-14-8-4-6-12(27)18(14)29/h2-8,10,15,27-29H,9H2,1H3/b25-17+ |
| SMILES | CO/N=C(\C1=CC=CC=C1OC1=NC=NC(OC2=C(O)C(O)=CC=C2)=C1F)C1=NOCC(O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C21H17FN4O8/c1-30-25-17(21-26-31-9-15(28)34-21)11-5-2-3-7-13(11)32-19-16(22)20(24-10-23-19)33-14-8-4-6-12(27)18(14)29/h2-8,10,15,27-29H,9H2,1H3/b25-17+/t15? |
 |
| SMILES (mnx) | [CH3:1][O:30]/[N:25]=[C:17](\[C:11]1=[CH:5][CH:2]=[CH:3][CH:7]=[C:13]1[O:32][C:19]1=[C:16]([F:22])[C:20]([O:33][C:14]2=[CH:8][CH:4]=[CH:6][C:12]([OH:27])=[C:18]2[OH:29])=[N:24][CH:10]=[N:23]1)[C:21]1=[N:26][O:31][CH2:9][CH:15]([OH:28])[O:34]1 |
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