(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H20FNO6/c22-18-6-2-1-5-17(18)21(7-3-4-8-21)20(24)28-12-15-10-16(23(25)26)9-14-11-27-13-29-19(14)15/h1-2,5-6,9-10H,3-4,7-8,11-13H2