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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile

Preferred term

(3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2h-1-benzopyran-6-carbonitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H17NO4

inchi

  • InChI=1S/C17H17NO4/c1-17(2)16(20)15(21-12-5-4-11(19)8-12)13-7-10(9-18)3-6-14(13)22-17/h3,6-8,15-16,20H,4-5H2,1-2H3/t15-,16+/m1/s1

inchikey

  • WJBHHTPFTVKZCV-CVEARBPZSA-N

mass

  • 299.322

monoisotopicmass

  • 299.11576

smiles

  • CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92920

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