6R8
Summary
| Name: | (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid |
| Formula: | C7 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 200.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O5/c8-7(12)2-1-4(9(13)14)3-5(7)6(10)11/h1,3,12H,2,8H2,(H,10,11)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | YMJMMSMKJXYRPV-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | N[C]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.5 | C1C=C(C=C(C1(N)O)C(=O)O)[N+](=O)[O-] |
