[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] N,N-diethylcarbamate

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] N,N-diethylcarbamate Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2

Isomeric SMILES

CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/O2

InChI

InChI=1S/C21H20BrNO5/c1-4-23(5-2)21(25)27-15-7-8-16-18(12-15)28-19(20(16)24)11-13-10-14(22)6-9-17(13)26-3/h6-12H,4-5H2,1-3H3/b19-11-