4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine

Systemtic Name: 4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine Openeye Name: 4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine CAS Name: 4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine IUPAC Name: 4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine Traditional Name: 4-[3-(3,5-dinitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine Formula: C13H8N6O4 MolecularWeight: 312.24042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC(=NN2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=NC(=NN2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N6O4/c20-18(21)10-5-9(6-11(7-10)19(22)23)13-15-12(16-17-13)8-1-3-14-4-2-8/h1-7H,(H,15,16,17)