4-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H9BrN4O5 MolecularWeight: 369.12766

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9BrN4O5/c13-9-10(15-16-11(9)17(19)20)12(18)14-6-1-2-7-8(5-6)22-4-3-21-7/h1-2,5H,3-4H2,(H,14,18)(H,15,16)