JY6
Summary
| Name: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one |
| Synonyms: | indirubin |
| Formula: | C16 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 262.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13- |
| InChIKey | InChI | 1.06 | CRDNMYFJWFXOCH-YPKPFQOOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2\C1=C/3Nc4ccccc4C/3=O |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=C3C(=O)c4ccccc4N3)C(=O)N2 |
