(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(3-ethyl-2-keto-benzimidazol-1-yl)propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OC3=C(C=C(C=C3Br)C#N)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)OC3=C(C=C(C=C3Br)C#N)OCC

InChI

InChI=1S/C21H20BrN3O4/c1-3-24-16-7-5-6-8-17(16)25(21(24)27)10-9-19(26)29-20-15(22)11-14(13-23)12-18(20)28-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3