4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitro-phthalonitrile CAS Name: 4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-(1H-benzimidazol-2-yl)phenoxy]-5-nitro-phthalonitrile Formula: C21H11N5O3 MolecularWeight: 381.34374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)OC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)OC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H11N5O3/c22-11-13-9-18(26(27)28)20(10-14(13)12-23)29-19-8-4-1-5-15(19)21-24-16-6-2-3-7-17(16)25-21/h1-10H,(H,24,25)