1,4-dihydroimidazol-5-one; 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline

Systemtic Name: 1,4-dihydroimidazol-5-one; 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline Openeye Name: 1,4-dihydroimidazol-5-one; N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline CAS Name: 1,4-dihydroimidazol-5-one; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline IUPAC Name: 1,4-dihydroimidazol-5-one; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline Traditional Name: (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine; 2-imidazolin-4-one Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].C1C(=O)NC=N1

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].C1C(=O)NC=N1

InChI

InChI=1S/C13H19N3O4.C3H4N2O/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20;6-3-1-4-2-5-3/h7,10,14H,5-6H2,1-4H3;2H,1H2,(H,4,5,6)