5-[3-(2,6-diethylphenyl)propyl]-2-nitro-imidazole-1-carbonitrile

Systemtic Name: 5-[3-(2,6-diethylphenyl)propyl]-2-nitro-imidazole-1-carbonitrile Openeye Name: 5-[3-(2,6-diethylphenyl)propyl]-2-nitro-imidazole-1-carbonitrile CAS Name: 5-[3-(2,6-diethylphenyl)propyl]-2-nitro-1-imidazolecarbonitrile IUPAC Name: 5-[3-(2,6-diethylphenyl)propyl]-2-nitroimidazole-1-carbonitrile Traditional Name: 5-[3-(2,6-diethylphenyl)propyl]-2-nitro-imidazole-1-carbonitrile Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)CCCC2=CN=C(N2C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)CCCC2=CN=C(N2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c1-3-13-7-5-8-14(4-2)16(13)10-6-9-15-11-19-17(21(22)23)20(15)12-18/h5,7-8,11H,3-4,6,9-10H2,1-2H3