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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(2,4,5-trimethylphenyl)ethanone Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C16H19N3O3/c1-9-6-11(3)14(7-10(9)2)15(20)8-18-13(5)16(19(21)22)12(4)17-18/h6-7H,8H2,1-5H3