9FN
Summary
| Name: | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid |
| Formula: | C14 H8 Cl N O5 |
| Formal charge: | 0 |
| Formula weight: | 305.67 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19) |
| InChIKey | InChI | 1.03 | RITAQDHCJBLSSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O |
