2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-(5-nitro-1,3-dioxo-2-isoindolyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(5-nitro-1,3-dioxoisoindol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C21H15N5O5 MolecularWeight: 417.3743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H15N5O5/c1-23-16-5-3-4-6-17(16)24(2)19(23)15(10-22)18(27)11-25-20(28)13-8-7-12(26(30)31)9-14(13)21(25)29/h3-9H,11H2,1-2H3