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

Systemtic Name: 2-hexoxyethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-hexoxyethyl 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 2-hexoxyethyl ester IUPAC Name: 2-hexoxyethyl 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 2-hexoxyethyl ester Formula: C23H30F2N2O6 MolecularWeight: 468.490906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30F2N2O6/c1-4-5-6-9-12-31-13-14-32-22(28)19-15(2)26-16(3)21(27(29)30)20(19)17-10-7-8-11-18(17)33-23(24)25/h7-8,10-11,20,23,26H,4-6,9,12-14H2,1-3H3