5-chloranyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]benzoic acid CAS Name: 5-chloro-2-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]benzoic acid IUPAC Name: 5-chloro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid Traditional Name: 5-chloro-2-[2-keto-2-(4-methylpiperazino)ethoxy]benzoic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H17ClN2O4/c1-16-4-6-17(7-5-16)13(18)9-21-12-3-2-10(15)8-11(12)14(19)20/h2-3,8H,4-7,9H2,1H3,(H,19,20)