(2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C#N)OCC)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C#N)OCC)N=C(C1=O)C

InChI

InChI=1S/C21H18BrN3O4/c1-4-25-17-7-6-14(10-16(17)24-12(3)20(25)26)21(27)29-19-15(22)8-13(11-23)9-18(19)28-5-2/h6-10H,4-5H2,1-3H3