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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

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