N-butyl-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-butyl-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-butyl-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-butyl-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-butyl-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-butyl-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C13H22N4O3 MolecularWeight: 282.33878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCNC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H22N4O3/c1-5-6-7-14-13(18)9(2)8-16-11(4)12(17(19)20)10(3)15-16/h9H,5-8H2,1-4H3,(H,14,18)