5-(1,3-benzodioxol-5-yl)-1-(4-fluoranyl-3-nitro-phenyl)-1,2,4-triazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-(4-fluoranyl-3-nitro-phenyl)-1,2,4-triazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-nitro-phenyl)-1,2,4-triazole CAS Name: 5-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-nitrophenyl)-1,2,4-triazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-nitrophenyl)-1,2,4-triazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-nitro-phenyl)-1,2,4-triazole Formula: C15H9FN4O4 MolecularWeight: 328.254763

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC=NN3C4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=NN3C4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C15H9FN4O4/c16-11-3-2-10(6-12(11)20(21)22)19-15(17-7-18-19)9-1-4-13-14(5-9)24-8-23-13/h1-7H,8H2