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

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Openeye Name: N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid Traditional Name: (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid Formula: C30H36N6O7 MolecularWeight: 592.64284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C

InChI

InChI=1S/C17H17N3O3.C13H19N3O4/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;1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h4-9H,1-3H3,(H,21,22)(H,19,20,23);7,10,14H,5-6H2,1-4H3