(4-bromanyl-2-fluoranyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H14BrFN2O4 MolecularWeight: 397.195763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrFN2O4/c1-19(2)14-6-4-10(7-15(14)20(22)23)16(21)24-9-11-3-5-12(17)8-13(11)18/h3-8H,9H2,1-2H3