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

Systemtic Name: 2-azanyl-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-oxidanyl-propanoic acid Openeye Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-hydroxy-propanoic acid CAS Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-hydroxypropanoic acid IUPAC Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-hydroxypropanoic acid Traditional Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]-3-hydroxy-propionic acid Formula: C13H18Cl2N2O3 MolecularWeight: 321.19962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2O3/c14-4-6-17(7-5-15)10-3-1-2-9(8-10)12(18)11(16)13(19)20/h1-3,8,11-12,18H,4-7,16H2,(H,19,20)