2-[4-(2-chloranylethanoyl)piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-(2-chloranylethanoyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-chloroacetyl)piperazino]benzoic acid Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)CCl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=O)O)C(=O)CCl

InChI

InChI=1S/C13H15ClN2O3/c14-9-12(17)16-7-5-15(6-8-16)11-4-2-1-3-10(11)13(18)19/h1-4H,5-9H2,(H,18,19)