hexyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: hexyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: hexyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid hexyl ester IUPAC Name: hexyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid hexyl ester Formula: C21H26F2N2O5 MolecularWeight: 424.438346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H26F2N2O5/c1-4-5-6-9-12-29-20(26)17-13(2)24-14(3)19(25(27)28)18(17)15-10-7-8-11-16(15)30-21(22)23/h7-8,10-11,18,21,24H,4-6,9,12H2,1-3H3