Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+]=2c1ccc(OC)cc1C(=O)C=2c3ccc(N)cc3 |
InChI | InChI | 1.03 | InChI=1S/C15H12N2O3/c1-20-11-6-7-13-12(8-11)15(18)14(17(13)19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3 |
InChIKey | InChI | 1.03 | HTBDGBPUYWVYCA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(N)cc3 |
SMILES | CACTVS | 3.385 | COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(N)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N |