| Properties | Image |
|---|
| MNX_ID | MNXM1181041 |
 |
| reference | envipathM:...001ec6bd4128 |
| formula | C21H23Cl2N3O4 |
| global charge | 0 |
| mol weight | 452.338 |
| InChIKey | OFFZFBTZLXJEQX-BVNBGYONSA-N |
| InChI | InChI=1S/C21H23Cl2N3O4/c1-13(19(27)11-16-17(22)9-6-10-18(16)23)25-30-12-14-7-4-5-8-15(14)20(26-29-3)21(28)24-2/h4-10,19,27H,11-12H2,1-3H3,(H,24,28)/b25-13+,26-20+ |
| SMILES | CNC(=O)/C(=N/OC)C1=C(CO/N=C(\C)C(O)CC2=C(Cl)C=CC=C2Cl)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H23Cl2N3O4/c1-13(19(27)11-16-17(22)9-6-10-18(16)23)25-30-12-14-7-4-5-8-15(14)20(26-29-3)21(28)24-2/h4-10,19,27H,11-12H2,1-3H3,(H,24,28)/b25-13+,26-20+/t19? |
 |
| SMILES (mnx) | [CH3:1]/[C:13]([CH:19]([CH2:11][C:16]1=[C:17]([Cl:22])[CH:9]=[CH:6][CH:10]=[C:18]1[Cl:23])[OH:27])=[N:25]\[O:30][CH2:12][C:14]1=[CH:7][CH:4]=[CH:5][CH:8]=[C:15]1[C:20](/[C:21](=[N:24]/[CH3:2])[OH:28])=[N:26]\[O:29][CH3:3] |
|