| Properties | Image |
|---|
| MNX_ID | MNXM103883 |
 |
| reference | chebi:65639 |
| formula | C21H15Cl2N3O4 |
| global charge | 0 |
| mol weight | 444.274 |
| InChIKey | IHIARQAFKOOAQT-OAQYLSRUSA-N |
| InChI | InChI=1S/C21H15Cl2N3O4/c1-24-19(27)21(29)15-11-7-9(22)3-5-13(11)25-16(15)17-18(30-2)12-8-10(23)4-6-14(12)26(17)20(21)28/h3-8,25,29H,1-2H3,(H,24,27)/t21-/m1/s1 |
| SMILES | CNC(=O)[C@@]1(O)C(=O)N2C3=C(C=C(Cl)C=C3)C(OC)=C2C2=C1C1=C(C=CC(Cl)=C1)N2 |
MNX internals
| InChI (mnx) | InChI=1/C21H15Cl2N3O4/c1-24-19(27)21(29)15-11-7-9(22)3-5-13(11)25-16(15)17-18(30-2)12-8-10(23)4-6-14(12)26(17)20(21)28/h3-8,25,29H,1-2H3,(H,24,27)/t21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:24]=[C:19]([C@:21]1([OH:29])[C:15]2=[C:16]([C:17]3=[C:18]([O:30][CH3:2])[C:12]4=[CH:8][C:10]([Cl:23])=[CH:4][CH:6]=[C:14]4[N:26]3[C:20]1=[O:28])[NH:25][C:13]1=[C:11]2[CH:7]=[C:9]([Cl:22])[CH:3]=[CH:5]1)[OH:27] |
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