| PDB CCD ID: | P81 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H7 N O3 |
| InChI: | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ |
| InChIKey: | CTJKRKMPTRJAIT-AATRIKPKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1cc(ccc1/C=C/[N+](=O)[O-])O | | CACTVS 3.370 | Oc1ccc(cc1)C=C[N+]([O-])=O | | CACTVS 3.370 | Oc1ccc(cc1)/C=C/[N+]([O-])=O | | ACDLabs 12.01 | [O-][N+](=O)/C=C/c1ccc(O)cc1 | | OpenEye OEToolkits 1.7.0 | c1cc(ccc1C=C[N+](=O)[O-])O |
|
| Name: | 4-[(E)-2-nitroethenyl]phenol;
(E)-1-(4'-hydroxyphenyl)-2-nitroethene |
| ChEMBL: | CHEMBL307481 |
| ZINC: | ZINC000000039663 |
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