2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C12H10BrN5O5 MolecularWeight: 384.1423

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C12H10BrN5O5/c13-11-15-12(18(20)21)16-17(11)6-10(19)14-7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5H,3-4,6H2,(H,14,19)