5-heptan-4-yl-4-methyl-2,6-dinitro-benzene-1,3-diamine

Systemtic Name: 5-heptan-4-yl-4-methyl-2,6-dinitro-benzene-1,3-diamine Openeye Name: 4-methyl-2,6-dinitro-5-(1-propylbutyl)benzene-1,3-diamine CAS Name: 5-heptan-4-yl-4-methyl-2,6-dinitrobenzene-1,3-diamine IUPAC Name: 5-heptan-4-yl-4-methyl-2,6-dinitrobenzene-1,3-diamine Traditional Name: [3-amino-4-methyl-2,6-dinitro-5-(1-propylbutyl)phenyl]amine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)C

Isomeric SMILES

CCCC(CCC)C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)C

InChI

InChI=1S/C14H22N4O4/c1-4-6-9(7-5-2)10-8(3)11(15)14(18(21)22)12(16)13(10)17(19)20/h9H,4-7,15-16H2,1-3H3