(2-propan-2-ylphenyl) 3-nitrobenzoate

Systemtic Name: (2-propan-2-ylphenyl) 3-nitrobenzoate Openeye Name: (2-isopropylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid o-cumenyl ester Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-11(2)14-8-3-4-9-15(14)21-16(18)12-6-5-7-13(10-12)17(19)20/h3-11H,1-2H3