| Properties | Image |
|---|
| MNX_ID | MNXM1171060 |
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| reference | envipathM:...37b48bd58c1d |
| formula | C22H20ClNO6 |
| global charge | 0 |
| mol weight | 429.856 |
| InChIKey | ZPLZUUKSMXCLPI-LXKNQZDASA-N |
| InChI | InChI=1S/C22H20ClNO6/c1-14(20(25)21(26)15-8-10-17(23)11-9-15)24-30-12-16-6-4-5-7-18(16)19(13-28-2)22(27)29-3/h4-11,13H,12H2,1-3H3/b19-13+,24-14+ |
| SMILES | CO/C=C(/C(=O)OC)C1=C(CO/N=C(\C)C(=O)C(=O)C2=CC=C(Cl)C=C2)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H20ClNO6/c1-14(20(25)21(26)15-8-10-17(23)11-9-15)24-30-12-16-6-4-5-7-18(16)19(13-28-2)22(27)29-3/h4-11,13H,12H2,1-3H3/b19-13+,24-14+ |
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| SMILES (mnx) | [CH3:1]/[C:14]([C:20]([C:21]([C:15]1=[CH:9][CH:11]=[C:17]([Cl:23])[CH:10]=[CH:8]1)=[O:26])=[O:25])=[N:24]\[O:30][CH2:12][C:16]1=[CH:6][CH:4]=[CH:5][CH:7]=[C:18]1/[C:19](=[CH:13]\[O:28][CH3:2])[C:22](=[O:27])[O:29][CH3:3] |
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