2-[(4-cyanophenyl)methyl-ethanoyl-amino]propanedioic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl-ethanoyl-amino]propanedioic acid Openeye Name: 2-[acetyl-[(4-cyanophenyl)methyl]amino]propanedioic acid CAS Name: 2-[acetyl-[(4-cyanophenyl)methyl]amino]propanedioic acid IUPAC Name: 2-[acetyl-[(4-cyanophenyl)methyl]amino]propanedioic acid Traditional Name: 2-[acetyl-(4-cyanobenzyl)amino]malonic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)C#N)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)C#N)C(C(=O)O)C(=O)O

InChI

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