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

Systemtic Name: 4-[2-(2,5-dinitrophenyl)octyl]-1,2,4-triazole Openeye Name: 4-[2-(2,5-dinitrophenyl)octyl]-1,2,4-triazole CAS Name: 4-[2-(2,5-dinitrophenyl)octyl]-1,2,4-triazole IUPAC Name: 4-[2-(2,5-dinitrophenyl)octyl]-1,2,4-triazole Traditional Name: 4-[2-(2,5-dinitrophenyl)octyl]-1,2,4-triazole Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4/c1-2-3-4-5-6-13(10-19-11-17-18-12-19)15-9-14(20(22)23)7-8-16(15)21(24)25/h7-9,11-13H,2-6,10H2,1H3