[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-bromanylbenzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-bromanylbenzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)Br

InChI

InChI=1S/C18H12BrN3O3/c19-13-6-2-1-5-11(13)18(24)25-10-16(23)12(9-20)17-21-14-7-3-4-8-15(14)22-17/h1-8,21-22H,10H2