2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]propanoic acid

Systemtic Name: 2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]propanoic acid Openeye Name: 2-[4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]propanoic acid CAS Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]propanoic acid IUPAC Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]propanoic acid Traditional Name: 2-[4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-7(11(14)15)9-3-5-10(6-4-9)13-8(2)12(16)17/h3-8,13H,1-2H3,(H,14,15)(H,16,17)