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

Systemtic Name: 2-oxidanyl-2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]propanedioic acid Openeye Name: 2-hydroxy-2-[4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]propanedioic acid CAS Name: 2-hydroxy-2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]propanedioic acid IUPAC Name: 2-hydroxy-2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]propanedioic acid Traditional Name: 2-hydroxy-2-[4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]malonic acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=C(C=C1)C(C(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)O)NC1=CC=C(C=C1)C(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H13NO7/c1-6(9(14)15)13-8-4-2-7(3-5-8)12(20,10(16)17)11(18)19/h2-6,13,20H,1H3,(H,14,15)(H,16,17)(H,18,19)