| Properties | Image |
|---|
| MNX_ID | MNXM1184066 |
 |
| reference | envipathM:...94f44008db29 |
| formula | C21H16ClFN4O8 |
| global charge | 0 |
| mol weight | 506.83 |
| InChIKey | YPKFBLBOBAMRNB-YZSQISJMSA-N |
| InChI | InChI=1S/C21H16ClFN4O8/c1-31-26-17(21-27-32-8-14(29)35-21)15-13(7-6-11(28)18(15)30)34-20-16(23)19(24-9-25-20)33-12-5-3-2-4-10(12)22/h2-7,9,14,28-30H,8H2,1H3/b26-17+ |
| SMILES | CO/N=C(/C1=NOCC(O)O1)C1=C(O)C(O)=CC=C1OC1=C(F)C(OC2=C(Cl)C=CC=C2)=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C21H16ClFN4O8/c1-31-26-17(21-27-32-8-14(29)35-21)15-13(7-6-11(28)18(15)30)34-20-16(23)19(24-9-25-20)33-12-5-3-2-4-10(12)22/h2-7,9,14,28-30H,8H2,1H3/b26-17+/t14? |
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| SMILES (mnx) | [CH3:1][O:31]/[N:26]=[C:17](\[C:15]1=[C:13]([O:34][C:20]2=[N:25][CH:9]=[N:24][C:19]([O:33][C:12]3=[CH:5][CH:3]=[CH:2][CH:4]=[C:10]3[Cl:22])=[C:16]2[F:23])[CH:7]=[CH:6][C:11]([OH:28])=[C:18]1[OH:30])[C:21]1=[N:27][O:32][CH2:8][CH:14]([OH:29])[O:35]1 |
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