A51
Summary
| Name: | (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one |
| OpenEye OEToolkits | 1.5.0 | (3E)-3-(phenylazanylmethylidene)oxolan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C/2OCCC\2=C\Nc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1OCC\C1=C/Nc2ccccc2 |
| SMILES | CACTVS | 3.341 | O=C1OCCC1=CNc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)N\C=C\2/CCOC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC=C2CCOC2=O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+ |
| InChIKey | InChI | 1.03 | BKXNPYSVWOVZGX-CMDGGOBGSA-N |
