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

Systemtic Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carbaldehyde Openeye Name: 1-isopentyl-3-(5-nitro-2-furyl)pyrazole-4-carbaldehyde CAS Name: 1-(3-methylbutyl)-3-(5-nitro-2-furanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carbaldehyde Traditional Name: 1-isoamyl-3-(5-nitro-2-furyl)pyrazole-4-carbaldehyde Formula: C13H15N3O4 MolecularWeight: 277.2759

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=O

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-9(2)5-6-15-7-10(8-17)13(14-15)11-3-4-12(20-11)16(18)19/h3-4,7-9H,5-6H2,1-2H3