X2M
Summary
| Name: | (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE |
| Formula: | C15 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 238.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.6.1 | (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C(\c1ccccc1N2)=C/c3c(cc(n3)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1 |
| SMILES | CACTVS | 3.352 | Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1cc([nH]c1C=C2c3ccccc3NC2=O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8- |
| InChIKey | InChI | 1.03 | WUWDLXZGHZSWQZ-WQLSENKSSA-N |
