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Concept information

organooxygen compound > oxacycle > naphthofuran > 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[n-(2-cyanoethyl)anilino]-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[n-(2-cyanoethyl)anilino]-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[n-(2-cyanoethyl)anilino]-2-oxoethyl] ester

Preferred term

3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[n-(2-cyanoethyl)anilino]-2-oxoethyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C25H20N2O4

inchi

  • InChI=1S/C25H20N2O4/c1-17-20-13-12-18-8-5-6-11-21(18)24(20)31-23(17)25(29)30-16-22(28)27(15-7-14-26)19-9-3-2-4-10-19/h2-6,8-13H,7,15-16H2,1H3

inchikey

  • CTYJZSIPFIWHBS-UHFFFAOYSA-N

mass

  • 412.438

monoisotopicmass

  • 412.14231

smiles

  • CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OCC(=O)N(CCC#N)C4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107940

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