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

Systemtic Name: 2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(3-chloro-4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)Cl)O

InChI

InChI=1S/C13H12ClN3O4/c14-9-3-7(1-2-11(9)18)12(19)17-10(13(20)21)4-8-5-15-6-16-8/h1-3,5-6,10,18H,4H2,(H,15,16)(H,17,19)(H,20,21)