AAN
Summary
| Name: | 2-(4-NITROPHENYL)ACETIC ACID |
| Formula: | C8 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 181.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-nitrophenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-nitrophenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)Cc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(=O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | YBADLXQNJCMBKR-UHFFFAOYSA-N |
