73D
1-ethylindole-2,3-dione
Created: | 2016-08-19 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-ethylindole-2,3-dione |
Systematic Name (OpenEye OEToolkits) | 1-ethylindole-2,3-dione |
Formula | C10 H9 N O2 |
Molecular Weight | 175.184 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCN1C(=O)C(=O)c2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.5 | CCN1c2ccccc2C(=O)C1=O |
Canonical SMILES | CACTVS | 3.385 | CCN1C(=O)C(=O)c2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | CCN1c2ccccc2C(=O)C1=O |
InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3 |
InChIKey | InChI | 1.03 | ORYSFKVWQQMDAX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 316076 |
CCDC/CSD | PAZBIC |