6-tert-butyl-3-methyl-2,4-dinitro-phenol; ethanamine

Systemtic Name: 6-tert-butyl-3-methyl-2,4-dinitro-phenol; ethanamine Openeye Name: 6-tert-butyl-3-methyl-2,4-dinitro-phenol; ethanamine CAS Name: 6-tert-butyl-3-methyl-2,4-dinitrophenol; ethanamine IUPAC Name: 6-tert-butyl-3-methyl-2,4-dinitrophenol; ethanamine Traditional Name: 6-tert-butyl-3-methyl-2,4-dinitro-phenol; ethylamine Formula: C13H21N3O5 MolecularWeight: 299.32294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN.CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN.CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5.C2H7N/c1-6-8(12(15)16)5-7(11(2,3)4)10(14)9(6)13(17)18;1-2-3/h5,14H,1-4H3;2-3H2,1H3