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

Systemtic Name: pyridin-2-ylmethyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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-pyridylmethyl ester Formula: C21H19F2N3O5 MolecularWeight: 431.389466

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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=N3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OC(F)F)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C21H19F2N3O5/c1-12-17(20(27)30-11-14-7-5-6-10-24-14)18(19(26(28)29)13(2)25-12)15-8-3-4-9-16(15)31-21(22)23/h3-10,18,21,25H,11H2,1-2H3