4-[[3-[[1-(3-nitropyridin-2-yl)-2-oxidanylidene-pyridin-4-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[[1-(3-nitropyridin-2-yl)-2-oxidanylidene-pyridin-4-yl]methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[[1-(3-nitro-2-pyridyl)-2-oxo-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[[1-(3-nitro-2-pyridinyl)-2-oxo-4-pyridinyl]methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[[1-(3-nitropyridin-2-yl)-2-oxopyridin-4-yl]methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[2-keto-1-(3-nitro-2-pyridyl)-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3/c23-12-17-5-3-16(4-6-17)10-19-13-24-15-26(19)14-18-7-9-27(21(29)11-18)22-20(28(30)31)2-1-8-25-22/h1-9,11,13,15H,10,14H2