3-nitro-1-(3-oxidanylidenebutyl)pyrazole-4-carbonitrile

Systemtic Name: 3-nitro-1-(3-oxidanylidenebutyl)pyrazole-4-carbonitrile Openeye Name: 3-nitro-1-(3-oxobutyl)pyrazole-4-carbonitrile CAS Name: 3-nitro-1-(3-oxobutyl)-4-pyrazolecarbonitrile IUPAC Name: 3-nitro-1-(3-oxobutyl)pyrazole-4-carbonitrile Traditional Name: 1-(3-ketobutyl)-3-nitro-pyrazole-4-carbonitrile Formula: C8H8N4O3 MolecularWeight: 208.17412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])C#N

InChI

InChI=1S/C8H8N4O3/c1-6(13)2-3-11-5-7(4-9)8(10-11)12(14)15/h5H,2-3H2,1H3