(2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-3-methyl-butyrate Formula: C12H13ClNO4- MolecularWeight: 270.68892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)O)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC(=C(C=C1)O)Cl

InChI

InChI=1S/C12H14ClNO4/c1-6(2)10(12(17)18)14-11(16)7-3-4-9(15)8(13)5-7/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18)/p-1/t10-/m0/s1