N-[1-(4-butan-2-ylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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