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

Systemtic Name: (phenylmethyl) 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H20F2N2O5 MolecularWeight: 430.401406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20F2N2O5/c1-13-18(21(27)30-12-15-8-4-3-5-9-15)19(20(26(28)29)14(2)25-13)16-10-6-7-11-17(16)31-22(23)24/h3-11,19,22,25H,12H2,1-2H3