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

Systemtic Name: 3-(3,5-dinitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(3,5-dinitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-(3,5-dinitrophenyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(3,5-dinitrophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(3,5-dinitrophenyl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C17H11N5O5 MolecularWeight: 365.29974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O5/c1-20-15-5-3-2-4-14(15)19-17(20)13(9-18)16(23)10-6-11(21(24)25)8-12(7-10)22(26)27/h2-8,13H,1H3