[2-(2-bromophenyl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Br)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3Br)[N+](=O)[O-])C

InChI

InChI=1S/C22H23BrN2O5/c1-14-9-15(2)12-24(11-14)19-8-7-16(10-20(19)25(28)29)22(27)30-13-21(26)17-5-3-4-6-18(17)23/h3-8,10,14-15H,9,11-13H2,1-2H3