2-(2,6-diethylphenyl)-4-(2-nitroimidazol-1-yl)butanenitrile

Systemtic Name: 2-(2,6-diethylphenyl)-4-(2-nitroimidazol-1-yl)butanenitrile Openeye Name: 2-(2,6-diethylphenyl)-4-(2-nitroimidazol-1-yl)butanenitrile CAS Name: 2-(2,6-diethylphenyl)-4-(2-nitro-1-imidazolyl)butanenitrile IUPAC Name: 2-(2,6-diethylphenyl)-4-(2-nitroimidazol-1-yl)butanenitrile Traditional Name: 2-(2,6-diethylphenyl)-4-(2-nitroimidazol-1-yl)butyronitrile Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C(CCN2C=CN=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C(CCN2C=CN=C2[N+](=O)[O-])C#N

InChI

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