Y4Y
Summary
| Name: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
| Formula: | C9 H8 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
| OpenEye OEToolkits | 2.0.7 | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=N(=O)c1cc2NC(=O)C(=O)Nc2cc1CN |
| InChI | InChI | 1.06 | InChI=1S/C9H8N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,3,10H2,(H,11,14)(H,12,15) |
| InChIKey | InChI | 1.06 | DWQWOEGFPYFGFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cc2NC(=O)C(=O)Nc2cc1[N](=O)=O |
| SMILES | CACTVS | 3.385 | NCc1cc2NC(=O)C(=O)Nc2cc1[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1NC(=O)C(=O)N2)N(=O)=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc2c1NC(=O)C(=O)N2)N(=O)=O)CN |
