2-nitro-6-(2,4,6-trimethylphenyl)benzoic acid

Systemtic Name: 2-nitro-6-(2,4,6-trimethylphenyl)benzoic acid Openeye Name: 2-nitro-6-(2,4,6-trimethylphenyl)benzoic acid CAS Name: 2-nitro-6-(2,4,6-trimethylphenyl)benzoic acid IUPAC Name: 2-nitro-6-(2,4,6-trimethylphenyl)benzoic acid Traditional Name: 2-mesityl-6-nitro-benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C16H15NO4/c1-9-7-10(2)14(11(3)8-9)12-5-4-6-13(17(20)21)15(12)16(18)19/h4-8H,1-3H3,(H,18,19)