4-(3H-benzimidazol-5-ylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3H-benzimidazol-5-ylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3H-benzimidazol-5-ylamino)-3-nitro-benzonitrile CAS Name: 4-(3H-benzimidazol-5-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3H-benzimidazol-5-ylamino)-3-nitrobenzonitrile Traditional Name: 4-(3H-benzimidazol-5-ylamino)-3-nitro-benzonitrile Formula: C14H9N5O2 MolecularWeight: 279.25356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C14H9N5O2/c15-7-9-1-3-12(14(5-9)19(20)21)18-10-2-4-11-13(6-10)17-8-16-11/h1-6,8,18H,(H,16,17)