ethyl 2-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C16H12BrFN2O4 MolecularWeight: 395.179883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC(=C(C=C2)F)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC(=C(C=C2)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrFN2O4/c1-2-24-16(21)12-8-11(20(22)23)9-19-15(12)6-4-10-3-5-14(18)13(17)7-10/h3-9H,2H2,1H3/b6-4+