Chem
J-GLOBAL ID：200907028360048120   Nikkaji number：J509.491G

5-[4-Cyanobenzoylamino]-3-hydroxymethylbenzoic acid

3-(4-シアノベンズアミド)-5-(ヒドロキシメチル)安息香酸
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： C16H12N2O4
Molecular formula furigana： C16-H12-N2-O4
Molecular weight： 296.282
InChI： InChI=1S/C16H12N2O4/c17-8-10-1-3-12(4-2-10)15(20)18-14-6-11(9-19)5-13(7-14)16(21)22/h1-7,19H,9H2,(H,18,20)(H,21,22)
InChI key： LRABECYIYYOVKK-UHFFFAOYSA-N
SMILES： OCc1cc(NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)O
Systematic name  (3)：
  • 5-[4-シアノベンゾイルアミノ]-3-ヒドロキシメチル安息香酸
  • 3-(4-シアノベンズアミド)-5-(ヒドロキシメチル)安息香酸
  • 3-(4-cyanobenzamido)-5-(hydroxymethyl)benzoic acid
Other name (1)：
  • 5-[4-Cyanobenzoylamino]-3-hydroxymethylbenzoic acid
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