5-nitro-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]benzenecarbonitrile Openeye Name: 2-[5-(4-isopropylphenyl)tetrazol-2-yl]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]benzonitrile IUPAC Name: 5-nitro-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]benzonitrile Traditional Name: 5-nitro-2-(5-p-cumenyltetrazol-2-yl)benzonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N6O2/c1-11(2)12-3-5-13(6-4-12)17-19-21-22(20-17)16-8-7-15(23(24)25)9-14(16)10-18/h3-9,11H,1-2H3