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

Systemtic Name: 4-[3-nitro-5-(3-nitro-1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Openeye Name: 4-[3-nitro-5-(3-nitro-1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one CAS Name: 4-[3-nitro-5-(3-nitro-1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: 4-[3-nitro-5-(3-nitro-1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Traditional Name: 4-[3-nitro-5-(3-nitro-1,2,4-triazol-1-yl)-1,2,4-triazol-1-yl]butan-2-one Formula: C8H8N8O5 MolecularWeight: 296.19972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N8O5/c1-5(17)2-3-13-8(10-7(12-13)16(20)21)14-4-9-6(11-14)15(18)19/h4H,2-3H2,1H3