6ZW
Summary
| Name: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one |
| Formula: | C14 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 231.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one |
| OpenEye OEToolkits | 2.0.5 | 7-(diethylamino)-4-methyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Oc1cc(ccc1C(=C2)C)N(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | AFYCEAFSNDLKSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCN(CC)c1ccc2c(c1)OC(=O)C=C2C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCN(CC)c1ccc2c(c1)OC(=O)C=C2C |
