[2,6-bis(bromanyl)-4-nitro-phenyl] 4-(5-pentylpyridin-2-yl)benzoate

Systemtic Name: [2,6-bis(bromanyl)-4-nitro-phenyl] 4-(5-pentylpyridin-2-yl)benzoate Openeye Name: (2,6-dibromo-4-nitro-phenyl) 4-(5-pentyl-2-pyridyl)benzoate CAS Name: 4-(5-pentyl-2-pyridinyl)benzoic acid (2,6-dibromo-4-nitrophenyl) ester IUPAC Name: (2,6-dibromo-4-nitrophenyl) 4-(5-pentylpyridin-2-yl)benzoate Traditional Name: 4-(5-amyl-2-pyridyl)benzoic acid (2,6-dibromo-4-nitro-phenyl) ester Formula: C23H20Br2N2O4 MolecularWeight: 548.2239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

InChI

InChI=1S/C23H20Br2N2O4/c1-2-3-4-5-15-6-11-21(26-14-15)16-7-9-17(10-8-16)23(28)31-22-19(24)12-18(27(29)30)13-20(22)25/h6-14H,2-5H2,1H3