1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O3/c1-5-13-7-8-14(6-2)15(9-13)16(21)10-19-12(4)17(20(22)23)11(3)18-19/h7-9H,5-6,10H2,1-4H3