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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzamide Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6/c1-12-20(26(29)30)13(2)25(24-12)10-19(27)23-16-6-4-3-5-15(16)21(28)22-14-7-8-17-18(9-14)32-11-31-17/h3-9H,10-11H2,1-2H3,(H,22,28)(H,23,27)