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

Systemtic Name: 2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propionic acid Formula: C13H18Cl2N2O3 MolecularWeight: 321.19962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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