2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxo-propanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxopropanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-keto-propionitrile Formula: C16H9N5O5 MolecularWeight: 351.27316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O5/c17-8-12(16-18-13-3-1-2-4-14(13)19-16)15(22)9-5-10(20(23)24)7-11(6-9)21(25)26/h1-7,12H,(H,18,19)