3-nitro-5-pentoxy-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-nitro-5-pentoxy-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-nitro-5-pentoxy-benzoic acid CAS Name: 4-benzoyl-3-nitro-5-pentoxybenzoic acid IUPAC Name: 4-benzoyl-3-nitro-5-pentoxybenzoic acid Traditional Name: 3-amoxy-4-benzoyl-5-nitro-benzoic acid Formula: C19H19NO6 MolecularWeight: 357.35726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H19NO6/c1-2-3-7-10-26-16-12-14(19(22)23)11-15(20(24)25)17(16)18(21)13-8-5-4-6-9-13/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,23)