1-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1S)-1-methylpropyl]phenyl]ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1S)-1-methylpropyl]phenyl]ethanone Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-5-11(2)14-6-8-15(9-7-14)16(21)10-19-13(4)17(20(22)23)12(3)18-19/h6-9,11H,5,10H2,1-4H3/t11-/m0/s1