Q8V
Summary
| Name: | ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate |
| Synonyms: | phenamacril |
| Formula: | C12 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (2Z)-3-amino-2-cyano-3-phenylprop-2-enoate |
| OpenEye OEToolkits | 2.0.7 | ethyl (~{Z})-3-azanyl-2-cyano-3-phenyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(\C(=C(\C(OCC)=O)C#N)N)ccc1 |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | YKRQBWKLHCEKQH-KHPPLWFESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)/C(C#N)=C(N)/c1ccccc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)C(C#N)=C(N)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(=C(c1ccccc1)N)C#N |
