2-[(4-chlorophenyl)carbonylamino]-2-(2-cyanoethyl)propanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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