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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-5-11(2)14-6-8-15(9-7-14)18-16(22)10-20-13(4)17(21(23)24)12(3)19-20/h6-9,11H,5,10H2,1-4H3,(H,18,22)/t11-/m0/s1