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

Systemtic Name: 5-(5-bromanylfuran-2-yl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-(5-bromo-2-furyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-(5-bromo-2-furanyl)-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(5-bromofuran-2-yl)-3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(5-bromo-2-furyl)-3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole Formula: C13H9BrN4O3 MolecularWeight: 349.13956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=C(O3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)C3=CC=C(O3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN4O3/c1-7-6-8(2-3-9(7)18(19)20)12-15-13(17-16-12)10-4-5-11(14)21-10/h2-6H,1H3,(H,15,16,17)