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

Systemtic Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoic acid Openeye Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoic acid CAS Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid IUPAC Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid Traditional Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propionic acid Formula: C14H18Cl2N2O3 MolecularWeight: 333.21032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2N2O3/c15-4-6-18(7-5-16)12-3-1-2-11(8-12)9-13(14(20)21)17-10-19/h1-3,8,10,13H,4-7,9H2,(H,17,19)(H,20,21)