2-[4-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-chloranyl-4-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-chloro-4-hydroxy-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-chloro-4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-chloro-4-hydroxy-benzoyl)piperazino]acetic acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4/c14-10-7-9(1-2-11(10)17)13(20)16-5-3-15(4-6-16)8-12(18)19/h1-2,7,17H,3-6,8H2,(H,18,19)