2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenoxybutyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenoxybutyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenoxybutyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-phenoxybutyl)acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-phenoxybutyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-phenoxybutyl)acetamide Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCCCOC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCCCOC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c1-13-17(21(23)24)14(2)20(19-13)12-16(22)18-10-6-7-11-25-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,18,22)