4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one

Systemtic Name: 4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Openeye Name: 4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one CAS Name: 4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: 4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Traditional Name: 4-[3-nitro-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Formula: C8H9N7O3 MolecularWeight: 251.20216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])N2C=NC=N2

Isomeric SMILES

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])N2C=NC=N2

InChI

InChI=1S/C8H9N7O3/c1-6(16)2-3-13-8(14-5-9-4-10-14)11-7(12-13)15(17)18/h4-5H,2-3H2,1H3