4LF
Summary
| Name: | N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide |
| Formula: | C13 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 276.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20) |
| InChIKey | InChI | 1.03 | BABSFPLAEBUXOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O |
| SMILES | CACTVS | 3.385 | Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O |
