3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]propionate Formula: C13H16Cl2NO2- MolecularWeight: 289.17764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])N(CCCl)CCCl

InChI

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