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

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[bis(2-chloroethyl)amino]benzyl]malonic acid Formula: C14H17Cl2NO4 MolecularWeight: 334.19508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C14H17Cl2NO4/c15-5-7-17(8-6-16)11-3-1-10(2-4-11)9-12(13(18)19)14(20)21/h1-4,12H,5-9H2,(H,18,19)(H,20,21)