4-chloranyl-3-(3-imidazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-imidazol-1-ylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-imidazol-1-ylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(3-imidazol-1-ylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-(3-imidazol-1-ylpropanoylamino)benzoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CCN2C=CN=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CCN2C=CN=C2)Cl

InChI

InChI=1S/C13H12ClN3O3/c14-10-2-1-9(13(19)20)7-11(10)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5H2,(H,16,18)(H,19,20)