[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H22BrN3O6 MolecularWeight: 492.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O6/c1-15(31-19-8-2-16(22)3-9-19)21(27)30-14-20(26)24-12-10-23(11-13-24)17-4-6-18(7-5-17)25(28)29/h2-9,15H,10-14H2,1H3