3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

InChI

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