H3J
Summary
| Name: | 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one |
| OpenEye OEToolkits | 2.0.6 | 3-methyl-2-pyridin-3-yloxy-cyclopenta-2,4-dien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cccc(OC=1C(C=CC=1C)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | OXHUSRBHFWQZGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(Oc2cccnc2)C(=O)C=C1 |
| SMILES | CACTVS | 3.385 | CC1=C(Oc2cccnc2)C(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C=C1)Oc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C=C1)Oc2cccnc2 |
