X0H
methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Created: | 2023-10-17 |
Last modified: | 2024-03-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
Systematic Name (OpenEye OEToolkits) | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
Formula | C12 H11 N O3 |
Molecular Weight | 217.221 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)CC1=CC(=O)Nc2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC1=CC(=O)Nc2c1cccc2 |
Canonical SMILES | CACTVS | 3.385 | COC(=O)CC1=CC(=O)Nc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC1=CC(=O)Nc2c1cccc2 |
InChI | InChI | 1.06 | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) |
InChIKey | InChI | 1.06 | KLDVSXHBYSMHNT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 13548560 |