| PDB CCD ID: | Q8V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H12 N2 O2 |
| InChI: | InChI=1S/C12H12N2O2/c1-2-16-12(15)10(8-13)11(14)9-6-4-3-5-7-9/h3-7H,2,14H2,1H3/b11-10- |
| InChIKey: | YKRQBWKLHCEKQH-KHPPLWFESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N | | OpenEye OEToolkits 2.0.7 | CCOC(=O)C(=C(c1ccccc1)N)C#N | | CACTVS 3.385 | CCOC(=O)C(C#N)=C(N)c1ccccc1 | | CACTVS 3.385 | CCOC(=O)/C(C#N)=C(N)/c1ccccc1 | | ACDLabs 12.01 | c1cc(\C(=C(\C(OCC)=O)C#N)N)ccc1 |
|
| Name: | ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate;
phenamacril |
| ZINC: | ZINC000113353938 |
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