[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN3O6/c1-29-16-6-7-18(21)17(12-16)20(26)30-13-19(25)23-10-8-22(9-11-23)14-2-4-15(5-3-14)24(27)28/h2-7,12H,8-11,13H2,1H3