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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > nitro compound > c-nitro compound > 3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > 3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one

Preferred term

3-(4-ethoxyanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one  

Type

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

Broader concept

charge

  • +1

formula

  • C23H22N3O4S

inchi

  • InChI=1S/C23H21N3O4S/c1-3-30-19-11-9-18(10-12-19)24-23(31)21(25-13-5-4-6-14-25)22(27)17-8-7-16(2)20(15-17)26(28)29/h4-15H,3H2,1-2H3,(H-,24,27,31)/p+1

inchikey

  • UMYVGHMKCQMLTG-UHFFFAOYSA-O

mass

  • 436.505

monoisotopicmass

  • 436.13255

smiles

  • CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+]3=CC=CC=C3)S

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:115681

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