2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(3-acetylphenyl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(3-acetylphenyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(3-acetylphenyl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C14H13BrN4O4 MolecularWeight: 381.18142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-])Br

InChI

InChI=1S/C14H13BrN4O4/c1-8-13(15)14(19(22)23)17-18(8)7-12(21)16-11-5-3-4-10(6-11)9(2)20/h3-6H,7H2,1-2H3,(H,16,21)