A1IAX
Summary
| Name: | 2-azanyl-3-nitro-benzoic acid |
| Synonyms: | 2-amino-3-nitrobenzoic acid |
| Formula: | C7 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.134 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-nitro-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11) |
| InChIKey | InChI | 1.06 | JJPIVRWTAGQTPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1c(cccc1[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1c(cccc1[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O |
