1-[(4-tert-butyl-2,6-dinitro-phenyl)-propyl-amino]propan-2-ol

Systemtic Name: 1-[(4-tert-butyl-2,6-dinitro-phenyl)-propyl-amino]propan-2-ol Openeye Name: 1-(4-tert-butyl-2,6-dinitro-N-propyl-anilino)propan-2-ol CAS Name: 1-(4-tert-butyl-2,6-dinitro-N-propylanilino)-2-propanol IUPAC Name: 1-(4-tert-butyl-2,6-dinitro-N-propylanilino)propan-2-ol Traditional Name: 1-(4-tert-butyl-2,6-dinitro-N-propyl-anilino)propan-2-ol Formula: C16H25N3O5 MolecularWeight: 339.3868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5/c1-6-7-17(10-11(2)20)15-13(18(21)22)8-12(16(3,4)5)9-14(15)19(23)24/h8-9,11,20H,6-7,10H2,1-5H3