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

Systemtic Name: 4-methyl-2,6-dinitro-5-pentan-3-yl-benzene-1,3-diamine Openeye Name: 5-(1-ethylpropyl)-4-methyl-2,6-dinitro-benzene-1,3-diamine CAS Name: 4-methyl-2,6-dinitro-5-pentan-3-ylbenzene-1,3-diamine IUPAC Name: 4-methyl-2,6-dinitro-5-pentan-3-ylbenzene-1,3-diamine Traditional Name: [3-amino-5-(1-ethylpropyl)-4-methyl-2,6-dinitro-phenyl]amine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c1-4-7(5-2)8-6(3)9(13)12(16(19)20)10(14)11(8)15(17)18/h7H,4-5,13-14H2,1-3H3