(NE)-N-[[1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene]hydroxylamine

Systemtic Name: (NE)-N-[[1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene]hydroxylamine Openeye Name: (4E)-1-isopentyl-3-(5-nitro-2-furyl)pyrazole-4-carbaldehyde oxime CAS Name: (4E)-1-(3-methylbutyl)-3-(5-nitro-2-furanyl)-4-pyrazolecarboxaldehyde oxime IUPAC Name: (NE)-N-[[1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylidene]hydroxylamine Traditional Name: (4E)-1-isoamyl-3-(5-nitro-2-furyl)pyrazole-4-carbaldehyde oxime Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])C=NO

Isomeric SMILES

CC(C)CCN1C=C(C(=N1)C2=CC=C(O2)[N+](=O)[O-])/C=N/O

InChI

InChI=1S/C13H16N4O4/c1-9(2)5-6-16-8-10(7-14-18)13(15-16)11-3-4-12(21-11)17(19)20/h3-4,7-9,18H,5-6H2,1-2H3/b14-7+