| Properties | Image |
|---|
| MNX_ID | MNXM529091 |
 |
| reference | chebi:107580 |
| formula | C16H12ClN4O |
| global charge | 1 |
| mol weight | 311.752 |
| InChIKey | ZMAFIGLYQNRFHH-UHFFFAOYSA-O |
| InChI | InChI=1S/C16H11ClN4O/c17-11-2-1-3-12-13(11)14-15(20-12)16(22)21(9-19-14)8-10-4-6-18-7-5-10/h1-7,9H,8H2,(H,20,22)/p+1 |
| SMILES | O=C1C2=C(NC=[N+]1CC1=CC=NC=C1)C1=C(C=CC=C1Cl)N2 |
MNX internals
| InChI (mnx) | InChI=1/C16H11ClN4O/c17-11-2-1-3-12-13(11)14-15(20-12)16(22)21(9-19-14)8-10-4-6-18-7-5-10/h1-7,9H,8H2,(H,20,22)/p+1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([Cl:17])=[C:13]2[C:12](=[CH:3]1)[NH:20][C:15]1=[C:14]2[NH:19][CH:9]=[N+:21]([CH2:8][C:10]2=[CH:5][CH:7]=[N:18][CH:6]=[CH:4]2)[C:16]1=[O:22] |
|