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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=NC=CN1)(C#N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC1=NC=CN1)(C#N)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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