3-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxopropanoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-keto-propionic acid Formula: C13H15Cl2NO3 MolecularWeight: 304.1691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2NO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4H,5-9H2,(H,18,19)