| Properties | Image |
MNX_ID | MNXM530528 |
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reference | chebi:95024 |
formula | C12H11ClN4O2 |
global charge | 0 |
mol weight | 278.699 |
InChIKey | AICKZRPQDLFSPA-UHFFFAOYSA-N |
InChI | InChI=1S/C12H11ClN4O2/c1-2-19-11(18)6-7-17-15-12(14-16-17)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3 |
SMILES | CCOC(=O)C=CN1N=NC(C2=CC(Cl)=CC=C2)=N1 |
MNX internals
InChI (mnx) | InChI=1/C12H11ClN4O2/c1-2-19-11(18)6-7-17-15-12(14-16-17)9-4-3-5-10(13)8-9/h3-8H,2H2,1H3/b7-6? |
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SMILES (mnx) | [CH3:1][CH2:2][O:19][C:11]([CH:6]=[CH:7][N:17]1[N:15]=[C:12]([C:9]2=[CH:8][C:10]([Cl:13])=[CH:5][CH:3]=[CH:4]2)[N:14]=[N:16]1)=[O:18] |
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