UPW
Summary
| Name: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
| Formula: | C14 H13 N4 O6 |
| Formal charge: | 1 |
| Formula weight: | 333.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [4-[[6-(2-hydroxy-2-oxoethylcarbamoyl)-5-oxidanyl-pyridin-2-yl]amino]phenyl]-oxidanyl-oxidanylidene-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O6/c19-10-5-6-11(17-13(10)14(22)15-7-12(20)21)16-8-1-3-9(4-2-8)18(23)24/h1-6H,7H2,(H4-,15,16,17,19,20,21,22,23,24)/p+1 |
| InChIKey | InChI | 1.03 | ISGBDWMUHZDQRG-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+](O)=O)ccc1O |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+](O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O |
