ethyl 5-[4-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(5-bromo-2-hydroxy-3-nitro-phenyl)-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-(5-bromo-2-hydroxy-3-nitrophenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(5-bromo-2-hydroxy-3-nitrophenyl)-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(5-bromo-2-hydroxy-3-nitro-phenyl)-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H14BrN3O6S MolecularWeight: 504.31066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])Br)C#N)C#N)C

InChI

InChI=1S/C20H14BrN3O6S/c1-3-30-20(27)19-10(2)14(9-23)17(31-19)7-16(25)12(8-22)4-11-5-13(21)6-15(18(11)26)24(28)29/h4-6,26H,3,7H2,1-2H3