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

Systemtic Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carboxamide Openeye Name: 1-isopentyl-3-(5-nitro-2-furyl)pyrazole-4-carboxamide CAS Name: 1-(3-methylbutyl)-3-(5-nitro-2-furanyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-methylbutyl)-3-(5-nitrofuran-2-yl)pyrazole-4-carboxamide Traditional Name: 1-isoamyl-3-(5-nitro-2-furyl)pyrazole-4-carboxamide 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(=O)N

Isomeric SMILES

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

InChI

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