[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

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/h2-8,24-25H,10H2,1H3