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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester

Preferred term

2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C12H13N3O2

inchi

  • InChI=1S/C12H13N3O2/c1-17-12(16)10-7-4-2-3-5-9(7)15-11(14)8(10)6-13/h2-5H2,1H3,(H2,14,15)

inchikey

  • KTHIJTUJUXPDDZ-UHFFFAOYSA-N

mass

  • 231.251

monoisotopicmass

  • 231.10078

smiles

  • COC(=O)C1=C(C(=NC2=C1CCCC2)N)C#N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117223

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