4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6/c1-12-21(26(29)30)13(2)25(24-12)10-15-4-6-16(7-5-15)22(28)23-18-9-20-19(31-11-32-20)8-17(18)14(3)27/h4-9H,10-11H2,1-3H3,(H,23,28)