A1IB9
Summary
| Name: | 4-nitro-cinnamaldehyde |
| Synonyms: | (~{E})-3-(4-nitrophenyl)prop-2-en-1-ol |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(4-nitrophenyl)prop-2-en-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+ |
| InChIKey | InChI | 1.06 | LGXXEDSIJZHDBN-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC/C=C/c1ccc(cc1)[N](=O)=O |
| SMILES | CACTVS | 3.385 | OCC=Cc1ccc(cc1)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/CO)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CCO)N(=O)=O |
