ethyl 4-[(5-bromanyl-3-propyl-pyridin-2-yl)-(4-chloranyl-3-nitro-phenyl)methylidene]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(5-bromanyl-3-propyl-pyridin-2-yl)-(4-chloranyl-3-nitro-phenyl)methylidene]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5-bromo-3-propyl-2-pyridyl)-(4-chloro-3-nitro-phenyl)methylene]piperidine-1-carboxylate CAS Name: 4-[(5-bromo-3-propyl-2-pyridinyl)-(4-chloro-3-nitrophenyl)methylidene]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-3-propylpyridin-2-yl)-(4-chloro-3-nitrophenyl)methylidene]piperidine-1-carboxylate Traditional Name: 4-[(5-bromo-3-propyl-2-pyridyl)-(4-chloro-3-nitro-phenyl)methylene]piperidine-1-carboxylic acid ethyl ester Formula: C23H25BrClN3O4 MolecularWeight: 522.8193

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN=C1C(=C2CCN(CC2)C(=O)OCC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=CN=C1C(=C2CCN(CC2)C(=O)OCC)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C23H25BrClN3O4/c1-3-5-17-12-18(24)14-26-22(17)21(16-6-7-19(25)20(13-16)28(30)31)15-8-10-27(11-9-15)23(29)32-4-2/h6-7,12-14H,3-5,8-11H2,1-2H3