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

Systemtic Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-nitro-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C15H13F3N2O4 MolecularWeight: 342.26993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2O4/c1-7-11(14(21)22)12(13(20(23)24)8(2)19-7)9-4-3-5-10(6-9)15(16,17)18/h3-6,12,19H,1-2H3,(H,21,22)