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

Systemtic Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Openeye Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid CAS Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid IUPAC Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-dipropyl-amine; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid Formula: C30H33F3N6O7 MolecularWeight: 646.61423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

InChI

InChI=1S/C17H17N3O3.C13H16F3N3O4/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h4-9H,1-3H3,(H,21,22)(H,19,20,23);7-8H,3-6H2,1-2H3