2-acetamido-2-[(3-cyanophenyl)methyl]propanedioate

Systemtic Name: 2-acetamido-2-[(3-cyanophenyl)methyl]propanedioate Openeye Name: 2-acetamido-2-[(3-cyanophenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-cyanophenyl)methyl]propanedioate IUPAC Name: 2-acetamido-2-[(3-cyanophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(3-cyanobenzyl)malonate Formula: C13H10N2O5-2 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC(=C1)C#N)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)NC(CC1=CC=CC(=C1)C#N)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12N2O5/c1-8(16)15-13(11(17)18,12(19)20)6-9-3-2-4-10(5-9)7-14/h2-5H,6H2,1H3,(H,15,16)(H,17,18)(H,19,20)/p-2