2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-ethanoylphenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(4-ethanoylphenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-acetylphenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(4-acetylphenoxy)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(4-acetylphenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-acetylphenoxy)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C21H19N3O3/c1-14(25)15-8-10-16(11-9-15)27-13-20(26)17(12-22)21-23(2)18-6-4-5-7-19(18)24(21)3/h4-11H,13H2,1-3H3