6HY
Summary
| Name: | 4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14) |
| InChIKey | InChI | 1.03 | OMAJIMAYOJBLJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)C1=CNC(=O)C=C1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)C1=CNC(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1=CC(=O)NC=C1C(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1=CC(=O)NC=C1C(=O)CCC(=O)O |
