4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(3-acetylphenyl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-acetylphenyl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-acetylphenyl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-11-17(21(24)25)12(2)20(19-11)9-5-8-16(23)18-15-7-4-6-14(10-15)13(3)22/h4,6-7,10H,5,8-9H2,1-3H3,(H,18,23)