3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline chloride

Systemtic Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline chloride Openeye Name: N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline chloride CAS Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline chloride IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline chloride Traditional Name: (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine chloride Formula: C13H19ClN3O4- MolecularWeight: 316.76066

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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-].[Cl-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].[Cl-]

InChI

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