4-(3-imidazol-1-ylpropanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 4-(3-imidazol-1-ylpropanoylamino)-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoate CAS Name: 2-hydroxy-4-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoate IUPAC Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoate Traditional Name: 2-hydroxy-4-(3-imidazol-1-ylpropanoylamino)benzoate Formula: C13H12N3O4- MolecularWeight: 274.25208

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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)/p-1