2-[[[4-(chloromethyl)phenyl]amino]methyl]propanedioic acid

Systemtic Name: 2-[[[4-(chloromethyl)phenyl]amino]methyl]propanedioic acid Openeye Name: 2-[[4-(chloromethyl)anilino]methyl]propanedioic acid CAS Name: 2-[[4-(chloromethyl)anilino]methyl]propanedioic acid IUPAC Name: 2-[[4-(chloromethyl)anilino]methyl]propanedioic acid Traditional Name: 2-[[4-(chloromethyl)anilino]methyl]malonic acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)NCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCl)NCC(C(=O)O)C(=O)O

InChI

InChI=1S/C11H12ClNO4/c12-5-7-1-3-8(4-2-7)13-6-9(10(14)15)11(16)17/h1-4,9,13H,5-6H2,(H,14,15)(H,16,17)