1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carbonitrile Openeye Name: 1-isopentyl-3-(5-nitro-2-furyl)pyrazole-4-carbonitrile CAS Name: 1-(3-methylbutyl)-3-(5-nitro-2-furanyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carbonitrile Traditional Name: 1-isoamyl-3-(5-nitro-2-furyl)pyrazole-4-carbonitrile Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-9(2)5-6-16-8-10(7-14)13(15-16)11-3-4-12(20-11)17(18)19/h3-4,8-9H,5-6H2,1-2H3