N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=NN3)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=NN3)[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H10N4O6/c1-6(18)7-2-10-11(23-5-22-10)3-8(7)15-13(19)12-9(17(20)21)4-14-16-12/h2-4H,5H2,1H3,(H,14,16)(H,15,19)