3-(3-bromanylpropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate

Systemtic Name: 3-(3-bromanylpropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate Openeye Name: 3-(3-bromopropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate CAS Name: 3-(3-bromopropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate IUPAC Name: 3-(3-bromopropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate Traditional Name: 3-(3-bromopropyl)-2,5,6-trimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate Formula: C19H23BrN2O6-2 MolecularWeight: 455.29972

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(N1)C)(CCCBr)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])(C)C(=O)[O-]

Isomeric SMILES

CC1C(C(C(C(N1)C)(CCCBr)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])(C)C(=O)[O-]

InChI

InChI=1S/C19H25BrN2O6/c1-11-18(3,16(23)24)15(13-6-4-7-14(10-13)22(27)28)19(17(25)26,8-5-9-20)12(2)21-11/h4,6-7,10-12,15,21H,5,8-9H2,1-3H3,(H,23,24)(H,25,26)/p-2