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

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-acetylphenyl)-4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC(=C2)C(=O)C)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN4O4/c1-10-15(17)16(21(24)25)19-20(10)8-4-7-14(23)18-13-6-3-5-12(9-13)11(2)22/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,23)