(4-pentylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-pentylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-pentylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-amylphenyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H21NO4/c1-3-4-5-6-15-7-10-17(11-8-15)24-19(21)16-9-12-18(20(22)23)14(2)13-16/h7-13H,3-6H2,1-2H3