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

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count6
2D diagram of X0H

Chemical Component Summary

Namemethyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Systematic Name (OpenEye OEToolkits)methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
FormulaC12 H11 N O3
Molecular Weight217.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COC(=O)CC1=CC(=O)Nc2ccccc12
SMILESOpenEye OEToolkits2.0.7COC(=O)CC1=CC(=O)Nc2c1cccc2
Canonical SMILESCACTVS3.385 COC(=O)CC1=CC(=O)Nc2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)CC1=CC(=O)Nc2c1cccc2
InChIInChI1.06 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)
InChIKeyInChI1.06 KLDVSXHBYSMHNT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 13548560