2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate Openeye Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Formula: C12H14Cl2NO2- MolecularWeight: 275.15106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C12H15Cl2NO2/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17/h1-4H,5-9H2,(H,16,17)/p-1