P80
Summary
| Name: | 3-[(E)-2-nitroethenyl]phenol |
| Synonyms: | (E)-1-(3'-hydroxyphenyl)-2-nitroethene |
| Formula: | C8 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 165.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(E)-2-nitroethenyl]phenol |
| OpenEye OEToolkits | 1.7.0 | 3-[(E)-2-nitroethenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)/C=C/c1cc(O)ccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(/C=C/[N+]([O-])=O)c1 |
| SMILES | CACTVS | 3.370 | Oc1cccc(C=C[N+]([O-])=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)/C=C/[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)C=C[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H/b5-4+ |
| InChIKey | InChI | 1.03 | DHTXBJQMDPODIB-SNAWJCMRSA-N |
