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

Systemtic Name: (2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C13H11ClN3O4- MolecularWeight: 308.69714

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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)N[C@@H](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)/p-1/t10-/m0/s1