[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN3O5/c21-17-7-6-16(12-18(17)24(27)28)20(26)29-14-19(25)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2