ethanedioic acid; phenyl 3-[bis(2-chloroethyl)amino]propanoate

Systemtic Name: ethanedioic acid; phenyl 3-[bis(2-chloroethyl)amino]propanoate Openeye Name: oxalic acid; phenyl 3-[bis(2-chloroethyl)amino]propanoate CAS Name: 3-[bis(2-chloroethyl)amino]propanoic acid phenyl ester; oxalic acid IUPAC Name: oxalic acid; phenyl 3-[bis(2-chloroethyl)amino]propanoate Traditional Name: 3-[bis(2-chloroethyl)amino]propionic acid phenyl ester; oxalic acid Formula: C15H19Cl2NO6 MolecularWeight: 380.22046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCN(CCCl)CCCl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCN(CCCl)CCCl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17Cl2NO2.C2H2O4/c14-7-10-16(11-8-15)9-6-13(17)18-12-4-2-1-3-5-12;3-1(4)2(5)6/h1-5H,6-11H2;(H,3,4)(H,5,6)