2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-(3-nitrophenyl)acetamide CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-N-(3-nitrophenyl)acetamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-11(2)10-20-13(4)16(12(3)19-20)9-17(22)18-14-6-5-7-15(8-14)21(23)24/h5-8,11H,9-10H2,1-4H3,(H,18,22)