2-acetamido-2-[(2-methylphenyl)methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[(2-methylphenyl)methyl]propanedioic acid Openeye Name: 2-acetamido-2-(o-tolylmethyl)propanedioic acid CAS Name: 2-acetamido-2-[(2-methylphenyl)methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[(2-methylphenyl)methyl]propanedioic acid Traditional Name: 2-acetamido-2-(2-methylbenzyl)malonic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)O)(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)O)(C(=O)O)NC(=O)C

InChI

InChI=1S/C13H15NO5/c1-8-5-3-4-6-10(8)7-13(11(16)17,12(18)19)14-9(2)15/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)