EVO
Summary
| Name: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one |
| Formula: | C14 H10 N2 O |
| Formal charge: | 0 |
| Formula weight: | 222.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.9.2 | (3E)-3-(pyridin-3-ylmethylidene)-1H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C(c1c(cccc1)N2)=[C@H]c3cnccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10N2O/c17-14-12(8-10-4-3-7-15-9-10)11-5-1-2-6-13(11)16-14/h1-9H,(H,16,17)/b12-8+ |
| InChIKey | InChI | 1.03 | ALVGMCFQOGIUFY-XYOKQWHBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C/1Nc2ccccc2C/1=C/c3cccnc3 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C1=Cc3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=Cc3cccnc3)C(=O)N2 |
