RH6
Summary
| Name: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form |
| Formula: | C16 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 257.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one |
| OpenEye OEToolkits | 2.0.7 | 7-(diethylamino)-3-[(~{E})-prop-1-enyl]chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCN(CC)c1ccc2C=C(\C=C\C)C(=O)Oc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+ |
| InChIKey | InChI | 1.06 | YRIYSICZBXXPLJ-QPJJXVBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc2C=C(/C=C/C)C(=O)Oc2c1 |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)/C=C/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C=CC |
