4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitro-phthalonitrile CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitro-phthalonitrile Formula: C17H12N6O2 MolecularWeight: 332.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O2/c18-9-11-7-15(16(23(24)25)8-12(11)10-19)20-6-5-17-21-13-3-1-2-4-14(13)22-17/h1-4,7-8,20H,5-6H2,(H,21,22)