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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-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-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-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=C2)F)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO6/c22-17-5-3-4-16(10-17)21(6-1-2-7-21)20(24)28-12-15-9-18(23(25)26)8-14-11-27-13-29-19(14)15/h3-5,8-10H,1-2,6-7,11-13H2