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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzyl ester > benzyl nicotinate
organooxygen compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl nicotinate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl nicotinate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl nicotinate

Preferred term

benzyl nicotinate  

Type

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

Broader concept

charge

  • 0

formula

  • C13H11NO2

has_functional_parent

has_role

inchi

  • InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2

inchikey

  • KVYGGMBOZFWZBQ-UHFFFAOYSA-N

mass

  • 213.232

monoisotopicmass

  • 213.07898

smiles

  • C=1C=C(C=NC1)C(OCC2=CC=CC=C2)=O

subset

  • 3_STAR

synonym EXACT

  • benzyl nicotinate

synonym RELATED

  • 3-pyridinecarboxylic acid phenylmethyl ester
  • benzyl pyridine-3-carboxylate
  • nicotinic acid benzyl ester
  • phenylmethyl 3-pyridinecarboxylate
  • Pycaril
  • Pykaryl
  • Rubriment

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31268

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