| Properties | Image |
|---|
| MNX_ID | MNXM154823 |
 |
| reference | chebi:84371 |
| formula | C21H16ClN3O4 |
| global charge | 0 |
| mol weight | 409.829 |
| InChIKey | KKUHRVKGTKCZEO-OAQYLSRUSA-N |
| InChI | InChI=1S/C21H16ClN3O4/c1-23-19(26)21(28)15-12-9-10(22)7-8-13(12)24-16(15)17-18(29-2)11-5-3-4-6-14(11)25(17)20(21)27/h3-9,24,28H,1-2H3,(H,23,26)/t21-/m1/s1 |
| SMILES | CNC(=O)[C@@]1(O)C(=O)N2C3=C(C=CC=C3)C(OC)=C2C2=C1C1=C(C=CC(Cl)=C1)N2 |
MNX internals
| InChI (mnx) | InChI=1/C21H16ClN3O4/c1-23-19(26)21(28)15-12-9-10(22)7-8-13(12)24-16(15)17-18(29-2)11-5-3-4-6-14(11)25(17)20(21)27/h3-9,24,28H,1-2H3,(H,23,26)/t21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:23]=[C:19]([C@:21]1([OH:28])[C:15]2=[C:16]([C:17]3=[C:18]([O:29][CH3:2])[C:11]4=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]4[N:25]3[C:20]1=[O:27])[NH:24][C:13]1=[CH:8][CH:7]=[C:10]([Cl:22])[CH:9]=[C:12]12)[OH:26] |
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