TWQ
Summary
| Name: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
| Formula: | C13 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 264.277 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JHMYUPYTCMKREX-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O |
| SMILES | CACTVS | 3.385 | CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1CCCN(C1)c2cc(ccc2N(=O)=O)C=O |
