P81
Summary
| Name: | 4-[(E)-2-nitroethenyl]phenol |
| Synonyms: | (E)-1-(4'-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 | 4-[(E)-2-nitroethenyl]phenol |
| OpenEye OEToolkits | 1.7.0 | 4-[(E)-2-nitroethenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)/C=C/c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1)/C=C/[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | Oc1ccc(cc1)C=C[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1/C=C/[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C=C[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ |
| InChIKey | InChI | 1.03 | CTJKRKMPTRJAIT-AATRIKPKSA-N |
