2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-ethanoyl-1-benzofuran-3-yl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-ethanoyl-1-benzofuran-3-yl)ethanamide Openeye Name: N-(2-acetylbenzofuran-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(2-acetyl-3-benzofuranyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2-acetyl-1-benzofuran-3-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(2-acetylbenzofuran-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(OC3=CC=CC=C32)C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5/c1-9-16(21(24)25)10(2)20(19-9)8-14(23)18-15-12-6-4-5-7-13(12)26-17(15)11(3)22/h4-7H,8H2,1-3H3,(H,18,23)