PW5
Summary
| Name: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid |
| Formula: | C11 H13 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 301.137 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13BrN2O3/c1-6-5-8(13-7(2)11(6)12)14-9(15)3-4-10(16)17/h5H,3-4H2,1-2H3,(H,16,17)(H,13,14,15) |
| InChIKey | InChI | 1.03 | AYWBCWUDJKSIMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br |
| SMILES | CACTVS | 3.385 | Cc1cc(NC(=O)CCC(O)=O)nc(C)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O |
