Chem
J-GLOBAL ID：200907036611349461   Nikkaji number：J509.492E

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

3-カルバモイル-5-(4-シアノベンズアミド)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： C16H11N3O4
Molecular formula furigana： C16-H11-N3-O4
Molecular weight： 309.281
InChI： InChI=1S/C16H11N3O4/c17-8-9-1-3-10(4-2-9)15(21)19-13-6-11(14(18)20)5-12(7-13)16(22)23/h1-7H,(H2,18,20)(H,19,21)(H,22,23)
InChI key： GKTXZOWBJYAICJ-UHFFFAOYSA-N
SMILES： NC(=O)c1cc(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-カルバモイル安息香酸
  • 3-カルバモイル-5-(4-シアノベンズアミド)安息香酸
  • 3-carbamoyl-5-(4-cyanobenzamido)benzoic acid
Other name (1)：
  • 5-[4-Cyanobenzoylamino]-3-carbamoylbenzoic acid
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