5-(5-bromanylfuran-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazole

Systemtic Name: 5-(5-bromanylfuran-2-yl)-3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-(5-bromo-2-furyl)-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-(5-bromo-2-furanyl)-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(5-bromofuran-2-yl)-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(5-bromo-2-furyl)-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole Formula: C12H6BrClN4O3 MolecularWeight: 369.55804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NNC(=N2)C3=CC=C(O3)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=NNC(=N2)C3=CC=C(O3)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H6BrClN4O3/c13-10-4-3-9(21-10)12-15-11(16-17-12)6-1-2-7(14)8(5-6)18(19)20/h1-5H,(H,15,16,17)