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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 3-[[5-[(3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid

Preferred term

3-[[5-[(3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H12N2O6S

inchi

  • InChI=1S/C18H12N2O6S/c21-16-15(9-11-3-2-6-14(8-11)20(25)26)27-18(24)19(16)10-12-4-1-5-13(7-12)17(22)23/h1-9H,10H2,(H,22,23)

inchikey

  • CKVJBQJWIBGJNO-UHFFFAOYSA-N

mass

  • 384.364

monoisotopicmass

  • 384.04161

smiles

  • C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116567

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