N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C=NN2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C=NN2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-4-11(3)12-6-8-13(9-7-12)14(5-2)19-17(22)16-15(21(23)24)10-18-20-16/h6-11,14H,4-5H2,1-3H3,(H,18,20)(H,19,22)