methyl 2-[1-(3-bromanyl-4-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-bromanyl-4-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3-bromo-4-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-bromo-4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC)Br

InChI

InChI=1S/C15H17BrN2O5/c1-22-12-4-3-9(7-10(12)16)15(21)18-6-5-17-14(20)11(18)8-13(19)23-2/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,20)