| Properties | Image |
|---|
| MNX_ID | MNXM1188116 |
 |
| reference | envipathM:...e0c0b10e06a1 |
| formula | C21H21ClNO5 |
| global charge | -1 |
| mol weight | 402.854 |
| InChIKey | GUKZLMLHMMESBF-OEAKJJBVSA-M |
| InChI | InChI=1S/C21H22ClNO5/c1-14(20(24)11-15-7-9-17(22)10-8-15)23-28-12-16-5-3-4-6-18(16)19(13-27-2)21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)/p-1/b23-14+ |
| SMILES | COCC(C(=O)[O-])C1=C(CO/N=C(\C)C(=O)CC2=CC=C(Cl)C=C2)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H22ClNO5/c1-14(20(24)11-15-7-9-17(22)10-8-15)23-28-12-16-5-3-4-6-18(16)19(13-27-2)21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)/b23-14+/t19? |
 |
| SMILES (mnx) | [CH3:1]/[C:14]([C:20]([CH2:11][C:15]1=[CH:8][CH:10]=[C:17]([Cl:22])[CH:9]=[CH:7]1)=[O:24])=[N:23]\[O:28][CH2:12][C:16]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:18]1[CH:19]([CH2:13][O:27][CH3:2])[C:21](=[O:25])[OH:26] |
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