(3-nitrophenyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (3-nitrophenyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (3-nitrophenyl) 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (3-nitrophenyl) ester Formula: C22H15NO6 MolecularWeight: 389.3576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO6/c24-22(28-17-10-6-7-15(13-17)23(25)26)21-19(14-27-16-8-2-1-3-9-16)18-11-4-5-12-20(18)29-21/h1-13H,14H2