V4N
Summary
| Name: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
| 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 | 2.0.7 | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H |
| InChIKey | InChI | 1.03 | IWVMASWCELCYEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
