phenethyl 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: phenethyl 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)-2-pyridyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)-2-pyridyl]-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C22H20F3N3O4 MolecularWeight: 447.40711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CC=N2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CC=N2)C(F)(F)F)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H20F3N3O4/c1-13-17(21(29)32-12-10-15-7-4-3-5-8-15)18(20(28(30)31)14(2)27-13)19-16(22(23,24)25)9-6-11-26-19/h3-9,11,18,27H,10,12H2,1-2H3