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

Systemtic Name: 4-[5-(3-chloranyl-1,2,4-triazol-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Openeye Name: 4-[5-(3-chloro-1,2,4-triazol-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one CAS Name: 4-[5-(3-chloro-1,2,4-triazol-1-yl)-3-nitro-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: 4-[5-(3-chloro-1,2,4-triazol-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Traditional Name: 4-[5-(3-chloro-1,2,4-triazol-1-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Formula: C8H8ClN7O3 MolecularWeight: 285.64722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8ClN7O3/c1-5(17)2-3-14-8(11-7(13-14)16(18)19)15-4-10-6(9)12-15/h4H,2-3H2,1H3