2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(5-bromo-2-chloro-benzoyl)piperazino]acetic acid Formula: C13H14BrClN2O3 MolecularWeight: 361.61886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C13H14BrClN2O3/c14-9-1-2-11(15)10(7-9)13(20)17-5-3-16(4-6-17)8-12(18)19/h1-2,7H,3-6,8H2,(H,18,19)