2-[(3-cyanophenyl)methyl]propanedioic acid; ethanamide

Systemtic Name: 2-[(3-cyanophenyl)methyl]propanedioic acid; ethanamide Openeye Name: acetamide; 2-[(3-cyanophenyl)methyl]propanedioic acid CAS Name: acetamide; 2-[(3-cyanophenyl)methyl]propanedioic acid IUPAC Name: acetamide; 2-[(3-cyanophenyl)methyl]propanedioic acid Traditional Name: acetamide; 2-(3-cyanobenzyl)malonic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N.C1=CC(=CC(=C1)CC(C(=O)O)C(=O)O)C#N

Isomeric SMILES

CC(=O)N.C1=CC(=CC(=C1)CC(C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C11H9NO4.C2H5NO/c12-6-8-3-1-2-7(4-8)5-9(10(13)14)11(15)16;1-2(3)4/h1-4,9H,5H2,(H,13,14)(H,15,16);1H3,(H2,3,4)