2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(6-imidazol-1-yl-3-pyridyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(6-imidazol-1-yl-3-pyridyl)methylamino]-5-nitro-benzonitrile Formula: C16H12N6O2 MolecularWeight: 320.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CN=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CN=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H12N6O2/c17-8-13-7-14(22(23)24)2-3-15(13)19-9-12-1-4-16(20-10-12)21-6-5-18-11-21/h1-7,10-11,19H,9H2