2-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]propanedioic acid

Systemtic Name: 2-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]propanedioic acid Openeye Name: 2-[(3-hydroxy-3-oxo-1-phenyl-propyl)amino]propanedioic acid CAS Name: 2-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]propanedioic acid IUPAC Name: 2-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]propanedioic acid Traditional Name: 2-[(3-hydroxy-3-keto-1-phenyl-propyl)amino]malonic acid Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c14-9(15)6-8(7-4-2-1-3-5-7)13-10(11(16)17)12(18)19/h1-5,8,10,13H,6H2,(H,14,15)(H,16,17)(H,18,19)