AI0
Summary
| Name: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide |
| Synonyms: | (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12- |
| InChIKey | InChI | 1.06 | SHXQVJVENHOUOF-UNOMPAQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2ccc(/C=[N+]([O-])/Cc3ccccc3)nc12 |
| SMILES | CACTVS | 3.385 | Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C/[N+](=C/c2ccc3cccc(c3n2)O)/[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[N+](=Cc2ccc3cccc(c3n2)O)[O-] |
