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

Systemtic Name: 2-[(3-carbamimidoylphenyl)methyl]propanedioic acid; ethanamide Openeye Name: acetamide; 2-[(3-carbamimidoylphenyl)methyl]propanedioic acid CAS Name: acetamide; 2-[(3-carbamimidoylphenyl)methyl]propanedioic acid IUPAC Name: acetamide; 2-[(3-carbamimidoylphenyl)methyl]propanedioic acid Traditional Name: acetamide; 2-(3-amidinobenzyl)malonic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4.C2H5NO/c12-9(13)7-3-1-2-6(4-7)5-8(10(14)15)11(16)17;1-2(3)4/h1-4,8H,5H2,(H3,12,13)(H,14,15)(H,16,17);1H3,(H2,3,4)