(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H19FN2O6 MolecularWeight: 438.405163

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN2O6/c1-25-19-8-7-15(11-20(19)26(28)29)22(27)30-12-16-9-18(24)10-17-13-31-23(32-21(16)17)14-5-3-2-4-6-14/h2-11,23,25H,12-13H2,1H3