| Properties | Image |
|---|
| MNX_ID | MNXM154818 |
 |
| reference | chebi:84367 |
| formula | C22H15Cl2N3O5 |
| global charge | 0 |
| mol weight | 472.284 |
| InChIKey | BCFVHVKRKHBTGK-YADHBBJMSA-N |
| InChI | InChI=1S/C22H15Cl2N3O5/c1-26-19(28)21(30)15-11-7-9(23)3-5-13(11)25-16(15)17-18(32-2)12-8-10(24)4-6-14(12)27(17)22(21,31)20(26)29/h3-8,25,30-31H,1-2H3/t21-,22+/m1/s1 |
| SMILES | COC1=C2C3=C(C4=C(C=CC(Cl)=C4)N3)[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)N2C2=C1C=C(Cl)C=C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H15Cl2N3O5/c1-26-19(28)21(30)15-11-7-9(23)3-5-13(11)25-16(15)17-18(32-2)12-8-10(24)4-6-14(12)27(17)22(21,31)20(26)29/h3-8,25,30-31H,1-2H3/t21-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:26]1[C:19](=[O:28])[C@:21]2([OH:30])[C:15]3=[C:16]([C:17]4=[C:18]([O:32][CH3:2])[C:12]5=[CH:8][C:10]([Cl:24])=[CH:4][CH:6]=[C:14]5[N:27]4[C@:22]2([OH:31])[C:20]1=[O:29])[NH:25][C:13]1=[C:11]3[CH:7]=[C:9]([Cl:23])[CH:3]=[CH:5]1 |
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