(3-nitrophenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-nitrophenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-nitrophenyl) 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid (3-nitrophenyl) ester Formula: C17H13NO6 MolecularWeight: 327.28822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-10-14-9-12(22-2)6-7-15(14)24-16(10)17(19)23-13-5-3-4-11(8-13)18(20)21/h3-9H,1-2H3