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

Systemtic Name: 2-azanyl-3-[4-[bis(2-chloroethyl)amino]-3-chloranyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-3-chloro-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-3-chlorophenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-3-chlorophenyl]propanoic acid Traditional Name: 2-amino-3-[4-[bis(2-chloroethyl)amino]-3-chloro-phenyl]propionic acid Formula: C13H17Cl3N2O2 MolecularWeight: 339.64528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl3N2O2/c14-3-5-18(6-4-15)12-2-1-9(7-10(12)16)8-11(17)13(19)20/h1-2,7,11H,3-6,8,17H2,(H,19,20)