3-[[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]methyl]benzonitrile CAS Name: 3-[[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]methyl]benzonitrile IUPAC Name: 3-[[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]methyl]benzonitrile Formula: C20H14N6O2 MolecularWeight: 370.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H14N6O2/c21-10-15-5-4-6-16(9-15)12-24-14-19(26(27)28)20(23-24)17-11-22-25(13-17)18-7-2-1-3-8-18/h1-9,11,13-14H,12H2