7WH
Summary
| Name: | 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
| Formula: | C15 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 302.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21) |
| InChIKey | InChI | 1.03 | HHHINYOXTBYXCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES | CACTVS | 3.385 | COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O |
