4-tert-butyl-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]benzamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-11-16(22(25)26)12(2)21(20-11)10-15(23)19-17(24)13-6-8-14(9-7-13)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,23,24)