(2E)-4,4-dimethyl-5-(5-nitro-2-oxidanylidene-3H-benzimidazol-1-yl)-3-oxidanylidene-2-(oxidanylmethylidene)pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-5-(5-nitro-2-oxidanylidene-3H-benzimidazol-1-yl)-3-oxidanylidene-2-(oxidanylmethylidene)pentanenitrile Openeye Name: (2E)-2-(hydroxymethylene)-4,4-dimethyl-5-(5-nitro-2-oxo-3H-benzimidazol-1-yl)-3-oxo-pentanenitrile CAS Name: (2E)-2-(hydroxymethylidene)-4,4-dimethyl-5-(5-nitro-2-oxo-3H-benzimidazol-1-yl)-3-oxopentanenitrile IUPAC Name: (2E)-2-(hydroxymethylidene)-4,4-dimethyl-5-(5-nitro-2-oxo-3H-benzimidazol-1-yl)-3-oxopentanenitrile Traditional Name: (E)-3-hydroxy-2-[3-(2-keto-5-nitro-3H-benzimidazol-1-yl)-2,2-dimethyl-propanoyl]acrylonitrile Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=CO)C#N

Isomeric SMILES

CC(C)(CN1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)/C(=C/O)/C#N

InChI

InChI=1S/C15H14N4O5/c1-15(2,13(21)9(6-16)7-20)8-18-12-4-3-10(19(23)24)5-11(12)17-14(18)22/h3-5,7,20H,8H2,1-2H3,(H,17,22)/b9-7+