1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-11-16(21(23)24)12(2)20(19-11)13(3)17(22)14-7-9-15(10-8-14)18(4,5)6/h7-10,13H,1-6H3