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

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-bromanylfuran-2-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic 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-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C16H10BrN3O4 MolecularWeight: 388.1723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=C(O3)Br)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=C(O3)Br)N2

InChI

InChI=1S/C16H10BrN3O4/c17-14-6-5-13(24-14)16(22)23-8-12(21)9(7-18)15-19-10-3-1-2-4-11(10)20-15/h1-6,19-20H,8H2