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

Systemtic Name: 2-heptoxyethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-heptoxyethyl 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-heptoxyethyl ester IUPAC Name: 2-heptoxyethyl 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-heptoxyethyl ester Formula: C24H32F2N2O6 MolecularWeight: 482.517486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32F2N2O6/c1-4-5-6-7-10-13-32-14-15-33-23(29)20-16(2)27-17(3)22(28(30)31)21(20)18-11-8-9-12-19(18)34-24(25)26/h8-9,11-12,21,24,27H,4-7,10,13-15H2,1-3H3