5-tert-butyl-2-methyl-1,3-dinitro-benzene

Systemtic Name: 5-tert-butyl-2-methyl-1,3-dinitro-benzene Openeye Name: 5-tert-butyl-2-methyl-1,3-dinitro-benzene CAS Name: 5-tert-butyl-2-methyl-1,3-dinitrobenzene IUPAC Name: 5-tert-butyl-2-methyl-1,3-dinitrobenzene Traditional Name: 5-tert-butyl-2-methyl-1,3-dinitro-benzene Formula: C11H14N2O4 MolecularWeight: 238.23986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-7-9(12(14)15)5-8(11(2,3)4)6-10(7)13(16)17/h5-6H,1-4H3