1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-4H-pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-4H-pyridine-3-carboxylic acid Openeye Name: 1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylic acid CAS Name: 1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylic acid IUPAC Name: 1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylic acid Traditional Name: 1-butyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylic acid Formula: C19H21F3N2O5 MolecularWeight: 414.37565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)O)C

InChI

InChI=1S/C19H21F3N2O5/c1-4-5-10-23-11(2)15(18(25)26)16(17(12(23)3)24(27)28)13-8-6-7-9-14(13)29-19(20,21)22/h6-9,16H,4-5,10H2,1-3H3,(H,25,26)