ethyl 4-bromanyl-3-(2-diethoxyphosphorylethanoylamino)-7-methoxy-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 4-bromanyl-3-(2-diethoxyphosphorylethanoylamino)-7-methoxy-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-bromo-3-[(2-diethoxyphosphorylacetyl)amino]-7-methoxy-benzofuran-2-carboxylate CAS Name: 4-bromo-3-[(2-diethoxyphosphoryl-1-oxoethyl)amino]-7-methoxy-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-3-[(2-diethoxyphosphorylacetyl)amino]-7-methoxy-1-benzofuran-2-carboxylate Traditional Name: 4-bromo-3-[(2-diethoxyphosphorylacetyl)amino]-7-methoxy-coumarilic acid ethyl ester Formula: C18H23BrNO8P MolecularWeight: 492.254881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2O1)OC)Br)NC(=O)CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2O1)OC)Br)NC(=O)CP(=O)(OCC)OCC

InChI

InChI=1S/C18H23BrNO8P/c1-5-25-18(22)17-15(14-11(19)8-9-12(24-4)16(14)28-17)20-13(21)10-29(23,26-6-2)27-7-3/h8-9H,5-7,10H2,1-4H3,(H,20,21)