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

Systemtic Name: methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,12-13H,1-3H3/t12?,13-/m1/s1