Chem
J-GLOBAL ID：200907050945745450   Nikkaji number：J509.477A

5-[3-Cyanobenzoylamino]isophthalic acid

5-[3-シアノベンゾイルアミノ]イソフタル酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H10N2O5
Molecular formula furigana： C16-H10-N2-O5
Molecular weight： 310.265
InChI： InChI=1S/C16H10N2O5/c17-8-9-2-1-3-10(4-9)14(19)18-13-6-11(15(20)21)5-12(7-13)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChI key： XKEHABAJCDTKHG-UHFFFAOYSA-N
SMILES： OC(=O)c1cc(NC(=O)c2cccc(c2)C#N)cc(c1)C(=O)O
Systematic name  (3)：
  • 5-[3-シアノベンゾイルアミノ]イソフタル酸
  • 5-(3-シアノベンズアミド)ベンゼン-1,3-ジカルボン酸
  • 5-(3-cyanobenzamido)benzene-1,3-dicarboxylic acid
Other name (1)：
  • 5-[3-Cyanobenzoylamino]isophthalic acid
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