(3-fluoranyl-4-methoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C17H17FN2O5 MolecularWeight: 348.325683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O5/c1-19(2)14-6-5-12(9-15(14)20(22)23)17(21)25-10-11-4-7-16(24-3)13(18)8-11/h4-9H,10H2,1-3H3