4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethanoylphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethanoylphenyl)benzamide Openeye Name: N-(2-acetylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(2-acetylphenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-acetylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-acetylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c1-13-20(25(28)29)14(2)24(23-13)12-16-8-10-17(11-9-16)21(27)22-19-7-5-4-6-18(19)15(3)26/h4-11H,12H2,1-3H3,(H,22,27)