AOY
Summary
| Name: | (3E)-3-[(phenylamino)methylidene]oxan-2-one |
| Formula: | C12 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 203.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-3-[(phenylamino)methylidene]oxan-2-one |
| OpenEye OEToolkits | 2.0.6 | (3~{E})-3-(phenylazanylmethylidene)oxan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c1ccccc1)/C=C2\CCCOC2=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO2/c14-12-10(5-4-8-15-12)9-13-11-6-2-1-3-7-11/h1-3,6-7,9,13H,4-5,8H2/b10-9+ |
| InChIKey | InChI | 1.03 | OFOTXGOGHOCRQE-MDZDMXLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OCCC\C1=C/Nc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1OCCCC1=CNc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)N/C=C/2\CCCOC2=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)NC=C2CCCOC2=O |
