methyl 2-[1-(3-bromophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-bromophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3-bromobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-bromobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromobenzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H15BrN2O4/c1-21-12(18)8-11-13(19)16-5-6-17(11)14(20)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,16,19)