4-(3-imidazol-1-ylpropanoylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(3-imidazol-1-ylpropanoylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoic acid CAS Name: 2-hydroxy-4-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoic acid Traditional Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCN2C=CN=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCN2C=CN=C2)O)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-11-7-9(1-2-10(11)13(19)20)15-12(18)3-5-16-6-4-14-8-16/h1-2,4,6-8,17H,3,5H2,(H,15,18)(H,19,20)