5TI
Summary
| Name: | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | IXYLVJHFJKDHRM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=C\C=C2C(=O)NC(=O)NC2=O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O |
