| Properties | Image |
|---|
| MNX_ID | MNXM1191675 |
 |
| reference | envipathM:...0701797af75b |
| formula | C21H13ClNO8 |
| global charge | -1 |
| mol weight | 442.787 |
| InChIKey | OKYJLGJEIMJQGI-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H14ClNO8/c1-30-13-6-7-15-14(8-13)18(19(27)21(29)31-10-17(25)26)16(9-24)23(15)20(28)11-2-4-12(22)5-3-11/h2-9H,10H2,1H3,(H,25,26)/p-1 |
| SMILES | COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C=O)=C2C(=O)C(=O)OCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H14ClNO8/c1-30-13-6-7-15-14(8-13)18(19(27)21(29)31-10-17(25)26)16(9-24)23(15)20(28)11-2-4-12(22)5-3-11/h2-9H,10H2,1H3,(H,25,26) |
 |
| SMILES (mnx) | [CH3:1][O:30][C:13]1=[CH:8][C:14]2=[C:15]([CH:7]=[CH:6]1)[N:23]([C:20]([C:11]1=[CH:3][CH:5]=[C:12]([Cl:22])[CH:4]=[CH:2]1)=[O:28])[C:16]([CH:9]=[O:24])=[C:18]2[C:19]([C:21](=[O:29])[O:31][CH2:10][C:17](=[O:25])[OH:26])=[O:27] |
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