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

Systemtic Name: 2-methyl-5-nitro-4,6-bis[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-methyl-5-nitro-4,6-bis[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-methyl-5-nitro-4,6-bis[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-methyl-5-nitro-4,6-bis[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-methyl-5-nitro-4,6-bis[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C21H14F6N2O4 MolecularWeight: 472.337279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H14F6N2O4/c1-10-15(19(30)31)16(11-6-2-4-8-13(11)20(22,23)24)18(29(32)33)17(28-10)12-7-3-5-9-14(12)21(25,26)27/h2-9,16,28H,1H3,(H,30,31)