1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole

Systemtic Name: 1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole Openeye Name: 1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole CAS Name: 1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole IUPAC Name: 1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole Traditional Name: 1-[3-(3,5-dinitrophenyl)hexyl]-1,2,4-triazole Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN1C=NC=N1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(CCN1C=NC=N1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4/c1-2-3-11(4-5-17-10-15-9-16-17)12-6-13(18(20)21)8-14(7-12)19(22)23/h6-11H,2-5H2,1H3