2-acetamido-2-[[3-(chloromethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[[3-(chloromethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-acetamido-2-[[3-(chloromethyl)phenyl]methyl]propanedioic acid CAS Name: 2-acetamido-2-[[3-(chloromethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[[3-(chloromethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-(chloromethyl)benzyl]malonic acid Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5/c1-8(16)15-13(11(17)18,12(19)20)6-9-3-2-4-10(5-9)7-14/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)(H,19,20)