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 |