4-tert-butyl-2-methyl-5-nitro-benzoate

Systemtic Name: 4-tert-butyl-2-methyl-5-nitro-benzoate Openeye Name: 4-tert-butyl-2-methyl-5-nitro-benzoate CAS Name: 4-tert-butyl-2-methyl-5-nitrobenzoate IUPAC Name: 4-tert-butyl-2-methyl-5-nitrobenzoate Traditional Name: 4-tert-butyl-2-methyl-5-nitro-benzoate Formula: C12H14NO4- MolecularWeight: 236.24386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C12H15NO4/c1-7-5-9(12(2,3)4)10(13(16)17)6-8(7)11(14)15/h5-6H,1-4H3,(H,14,15)/p-1