2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C13H14BrN5O6 MolecularWeight: 416.18416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrN5O6/c1-23-8-4-7(5-9(24-2)11(8)25-3)15-10(20)6-18-12(14)16-13(17-18)19(21)22/h4-5H,6H2,1-3H3,(H,15,20)