2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(4-chloro-2-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(4-chloro-2-fluorophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(4-chloro-2-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(4-chloro-2-fluoro-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H11ClFN3O3 MolecularWeight: 311.696143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)F)C(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)F)C(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H11ClFN3O3/c14-7-1-2-9(10(15)3-7)12(19)18-11(13(20)21)4-8-5-16-6-17-8/h1-3,5-6,11H,4H2,(H,16,17)(H,18,19)(H,20,21)