2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)octanenitrile

Systemtic Name: 2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)octanenitrile Openeye Name: 2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)octanenitrile CAS Name: 2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)octanenitrile IUPAC Name: 2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)octanenitrile Traditional Name: 2-(2,5-dinitrophenyl)-2-(1,2,4-triazol-4-ylmethyl)caprylonitrile Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=NN=C1)(C#N)C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(CN1C=NN=C1)(C#N)C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-2-3-4-5-8-17(10-18,11-21-12-19-20-13-21)15-9-14(22(24)25)6-7-16(15)23(26)27/h6-7,9,12-13H,2-5,8,11H2,1H3