2-acetamido-2-[3-(4-methylphenyl)-3-oxidanylidene-propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3-(4-methylphenyl)-3-oxidanylidene-propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3-oxo-3-(p-tolyl)propyl]propanedioic acid CAS Name: 2-acetamido-2-[3-(4-methylphenyl)-3-oxopropyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3-(4-methylphenyl)-3-oxopropyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-keto-3-(p-tolyl)propyl]malonic acid Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(C(=O)O)(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(C(=O)O)(C(=O)O)NC(=O)C

InChI

InChI=1S/C15H17NO6/c1-9-3-5-11(6-4-9)12(18)7-8-15(13(19)20,14(21)22)16-10(2)17/h3-6H,7-8H2,1-2H3,(H,16,17)(H,19,20)(H,21,22)