[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C21H14BrN3O4 MolecularWeight: 452.25756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H14BrN3O4/c1-11-13-8-12(22)6-7-18(13)29-19(11)21(27)28-10-17(26)14(9-23)20-24-15-4-2-3-5-16(15)25-20/h2-8,14H,10H2,1H3,(H,24,25)