1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-(5-nitro-2-furyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(5-nitro-2-furanyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-(5-nitrofuran-2-yl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-(5-nitro-2-furyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C9H8N4O4 MolecularWeight: 236.18422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C=NC(=N1)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C=NC(=N1)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4/c1-2-7(14)12-5-10-9(11-12)6-3-4-8(17-6)13(15)16/h3-5H,2H2,1H3