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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide Formula: C12H12BrN5O5 MolecularWeight: 386.15818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C12H12BrN5O5/c1-22-8-3-7(4-9(5-8)23-2)14-10(19)6-17-11(13)15-12(16-17)18(20)21/h3-5H,6H2,1-2H3,(H,14,19)