2-(4-azanyl-3,5-dimethyl-phenyl)-2-oxidanyl-propanedioic acid

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-phenyl)-2-oxidanyl-propanedioic acid Openeye Name: 2-(4-amino-3,5-dimethyl-phenyl)-2-hydroxy-propanedioic acid CAS Name: 2-(4-amino-3,5-dimethylphenyl)-2-hydroxypropanedioic acid IUPAC Name: 2-(4-amino-3,5-dimethylphenyl)-2-hydroxypropanedioic acid Traditional Name: 2-(4-amino-3,5-dimethyl-phenyl)-2-hydroxy-malonic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)C(C(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C(C(=O)O)(C(=O)O)O

InChI

InChI=1S/C11H13NO5/c1-5-3-7(4-6(2)8(5)12)11(17,9(13)14)10(15)16/h3-4,17H,12H2,1-2H3,(H,13,14)(H,15,16)