PNP
Summary
| Name: | METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER |
| Synonyms: | 4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE |
| Formula: | C7 H8 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 217.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrophenyl hydrogen (R)-methylphosphonate |
| OpenEye OEToolkits | 1.5.0 | methyl-(4-nitrophenoxy)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | VJPXTXIEAOSJBR-UHFFFAOYSA-N |
