4-tert-butyl-2-methyl-3-nitro-benzoic acid

Systemtic Name: 4-tert-butyl-2-methyl-3-nitro-benzoic acid Openeye Name: 4-tert-butyl-2-methyl-3-nitro-benzoic acid CAS Name: 4-tert-butyl-2-methyl-3-nitrobenzoic acid IUPAC Name: 4-tert-butyl-2-methyl-3-nitrobenzoic acid Traditional Name: 4-tert-butyl-2-methyl-3-nitro-benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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