| Properties | Image |
|---|
| MNX_ID | MNXM1181960 |
 |
| reference | envipathM:...819656b348f4 |
| formula | C21H14ClFN4O10 |
| global charge | -2 |
| mol weight | 536.812 |
| InChIKey | XOGHRPIHQSBUSV-XNRCWEAASA-L |
| InChI | InChI=1S/C21H16ClFN4O10/c1-33-26-16(20-27-35-7-6-34-20)10-4-2-3-5-12(10)36-18-15(23)19(25-9-24-18)37-17(14(22)21(31)32)11(28)8-13(29)30/h2-5,9H,6-8H2,1H3,(H,29,30)(H,31,32)/p-2/b17-14-,26-16+ |
| SMILES | CO/N=C(\C1=CC=CC=C1OC1=NC=NC(O/C(C(=O)CC(=O)[O-])=C(\Cl)C(=O)[O-])=C1F)C1=NOCCO1 |
MNX internals
| InChI (mnx) | InChI=1/C21H16ClFN4O10/c1-33-26-16(20-27-35-7-6-34-20)10-4-2-3-5-12(10)36-18-15(23)19(25-9-24-18)37-17(14(22)21(31)32)11(28)8-13(29)30/h2-5,9H,6-8H2,1H3,(H,29,30)(H,31,32)/b17-14-,26-16+ |
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| SMILES (mnx) | [CH3:1][O:33]/[N:26]=[C:16](\[C:10]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:12]1[O:36][C:18]1=[C:15]([F:23])[C:19]([O:37]/[C:17]([C:11]([CH2:8][C:13](=[O:29])[OH:30])=[O:28])=[C:14](/[C:21](=[O:31])[OH:32])[Cl:22])=[N:25][CH:9]=[N:24]1)[C:20]1=[N:27][O:35][CH2:7][CH2:6][O:34]1 |
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