tert-butyl 4-[(5-bromanyl-2-methoxy-3-nitro-phenyl)methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-bromanyl-2-methoxy-3-nitro-phenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-bromo-2-methoxy-3-nitro-phenyl)methylene]piperidine-1-carboxylate CAS Name: 4-[(5-bromo-2-methoxy-3-nitrophenyl)methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-bromo-2-methoxy-3-nitrophenyl)methylidene]piperidine-1-carboxylate Traditional Name: 4-(5-bromo-2-methoxy-3-nitro-benzylidene)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2=CC(=CC(=C2OC)[N+](=O)[O-])Br)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC2=CC(=CC(=C2OC)[N+](=O)[O-])Br)CC1

InChI

InChI=1S/C18H23BrN2O5/c1-18(2,3)26-17(22)20-7-5-12(6-8-20)9-13-10-14(19)11-15(21(23)24)16(13)25-4/h9-11H,5-8H2,1-4H3