N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H18N4O6 MolecularWeight: 422.39082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-12-7-20(25(28)29)23-24(12)10-14-5-3-4-6-15(14)21(27)22-17-9-19-18(30-11-31-19)8-16(17)13(2)26/h3-9H,10-11H2,1-2H3,(H,22,27)