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

Systemtic Name: (4-nitrophenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (4-nitrobenzyl) ester Formula: C23H17NO6 MolecularWeight: 403.38418

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)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17NO6/c25-23(29-14-16-10-12-17(13-11-16)24(26)27)22-20(15-28-18-6-2-1-3-7-18)19-8-4-5-9-21(19)30-22/h1-13H,14-15H2