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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-p-phenetyl-acetamide Formula: C12H12BrN5O4 MolecularWeight: 370.15878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN5O4/c1-2-22-9-5-3-8(4-6-9)14-10(19)7-17-11(13)15-12(16-17)18(20)21/h3-6H,2,7H2,1H3,(H,14,19)