| Properties | Image |
|---|
| MNX_ID | MNXM1175584 |
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| reference | envipathM:...4824ad07cf95 |
| formula | C17H15ClN3O3 |
| global charge | -1 |
| mol weight | 344.778 |
| InChIKey | YCDQDJKOIOCPPW-UHFFFAOYSA-M |
| InChI | InChI=1S/C17H16ClN3O3/c1-9-6-11(17(2,3)16(23)24)15(22)14(7-9)21-19-12-5-4-10(18)8-13(12)20-21/h4-8,22H,1-3H3,(H,23,24)/p-1 |
| SMILES | CC1=CC(N2N=C3C=CC(Cl)=CC3=N2)=C(O)C(C(C)(C)C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H16ClN3O3/c1-9-6-11(17(2,3)16(23)24)15(22)14(7-9)21-19-12-5-4-10(18)8-13(12)20-21/h4-8,22H,1-3H3,(H,23,24) |
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| SMILES (mnx) | [CH3:1][C:9]1=[CH:6][C:11]([C:17]([CH3:2])([CH3:3])[C:16](=[O:23])[OH:24])=[C:15]([OH:22])[C:14]([N:21]2[N:19]=[C:12]3[CH:5]=[CH:4][C:10]([Cl:18])=[CH:8][C:13]3=[N:20]2)=[CH:7]1 |
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