methyl 2-[1-(5-chloranyl-2-fluoranyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(5-chloranyl-2-fluoranyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(5-chloro-2-fluoro-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-chloro-2-fluorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(5-chloro-2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-chloro-2-fluoro-benzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H14ClFN2O4 MolecularWeight: 328.723363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C14H14ClFN2O4/c1-22-12(19)7-11-13(20)17-4-5-18(11)14(21)9-6-8(15)2-3-10(9)16/h2-3,6,11H,4-5,7H2,1H3,(H,17,20)