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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(3-ethyl-2-oxo-benzimidazol-1-yl)acetate CAS Name: 2-(3-ethyl-2-oxo-1-benzimidazolyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate Traditional Name: 2-(3-ethyl-2-keto-benzimidazol-1-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-3-23-15-7-5-6-8-16(15)24(20(23)26)12-18(25)28-19-14(21)9-13(11-22)10-17(19)27-4-2/h5-10H,3-4,12H2,1-2H3