4-bromanyl-2-(4-ethanoylpiperazin-1-yl)benzoic acid

Systemtic Name: 4-bromanyl-2-(4-ethanoylpiperazin-1-yl)benzoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-4-bromo-benzoic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-4-bromobenzoic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-4-bromobenzoic acid Traditional Name: 2-(4-acetylpiperazino)-4-bromo-benzoic acid Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C13H15BrN2O3/c1-9(17)15-4-6-16(7-5-15)12-8-10(14)2-3-11(12)13(18)19/h2-3,8H,4-7H2,1H3,(H,18,19)