(2R)-2-(6-chloranyl-1H-benzimidazol-2-yl)-3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: (2R)-2-(6-chloranyl-1H-benzimidazol-2-yl)-3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: (2R)-2-(6-chloro-1H-benzimidazol-2-yl)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: (2R)-2-(6-chloro-1H-benzimidazol-2-yl)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: (2R)-2-(6-chloro-1H-benzimidazol-2-yl)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: (2R)-2-(6-chloro-1H-benzimidazol-2-yl)-3-keto-3-(3,4,5-trimethoxyphenyl)propionitrile Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(C#N)C2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)[C@H](C#N)C2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O4/c1-25-15-6-10(7-16(26-2)18(15)27-3)17(24)12(9-21)19-22-13-5-4-11(20)8-14(13)23-19/h4-8,12H,1-3H3,(H,22,23)/t12-/m0/s1