6R6
Summary
Name: | 5-nitroanthranilic acid |
Synonyms: | 2-azanyl-5-nitro-benzoic 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 | 2.0.5 | 2-azanyl-5-nitro-benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11) |
InChIKey | InChI | 1.03 | RUCHWTKMOWXHLU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1C(O)=O)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | Nc1ccc(cc1C(O)=O)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)N |