2-[(4-chlorophenyl)carbonyl-(2-cyanoethyl)amino]propanedioic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonyl-(2-cyanoethyl)amino]propanedioic acid Openeye Name: 2-[(4-chlorobenzoyl)-(2-cyanoethyl)amino]propanedioic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]-(2-cyanoethyl)amino]propanedioic acid IUPAC Name: 2-[(4-chlorobenzoyl)-(2-cyanoethyl)amino]propanedioic acid Traditional Name: 2-[(4-chlorobenzoyl)-(2-cyanoethyl)amino]malonic acid Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(CCC#N)C(C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(CCC#N)C(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O5/c14-9-4-2-8(3-5-9)11(17)16(7-1-6-15)10(12(18)19)13(20)21/h2-5,10H,1,7H2,(H,18,19)(H,20,21)