ethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H17F3N2O4 MolecularWeight: 370.32309

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H17F3N2O4/c1-4-26-16(23)13-9(2)21-10(3)15(22(24)25)14(13)11-7-5-6-8-12(11)17(18,19)20/h5-8,14,21H,4H2,1-3H3