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

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline; 5-ethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid; N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline; 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine; 5-ethyl-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C28H38N6O7 MolecularWeight: 570.63732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3.C13H19N3O4/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);7,10,14H,5-6H2,1-4H3