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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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