ethyl 5-bromanyl-3-[[(Z)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[[(Z)-2-cyano-1-oxidanyl-3-oxidanylidene-but-1-enyl]amino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[(Z)-2-cyano-1-hydroxy-3-oxo-but-1-enyl]amino]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(Z)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[(Z)-2-cyano-1-hydroxy-3-oxobut-1-enyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(Z)-2-cyano-1-hydroxy-3-keto-but-1-enyl]amino]coumarilic acid ethyl ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=C(C#N)C(=O)C)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N/C(=C(\C#N)/C(=O)C)/O

InChI

InChI=1S/C16H13BrN2O5/c1-3-23-16(22)14-13(19-15(21)11(7-18)8(2)20)10-6-9(17)4-5-12(10)24-14/h4-6,19,21H,3H2,1-2H3/b15-11-