2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 5-ethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 5-ethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-dipropyl-amine; 5-ethyl-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C28H35F3N6O7 MolecularWeight: 624.60871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C

InChI

InChI=1S/C15H19N3O3.C13H16F3N3O4/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);7-8H,3-6H2,1-2H3