2-(3,5-dinitrophenyl)-2-(imidazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(3,5-dinitrophenyl)-2-(imidazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(3,5-dinitrophenyl)-2-(imidazol-1-ylmethyl)hexanenitrile CAS Name: 2-(3,5-dinitrophenyl)-2-(1-imidazolylmethyl)hexanenitrile IUPAC Name: 2-(3,5-dinitrophenyl)-2-(imidazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(3,5-dinitrophenyl)-2-(imidazol-1-ylmethyl)hexanenitrile Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=CN=C1)(C#N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CN1C=CN=C1)(C#N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-2-3-4-16(10-17,11-19-6-5-18-12-19)13-7-14(20(22)23)9-15(8-13)21(24)25/h5-9,12H,2-4,11H2,1H3