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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C12H12BrN5O3/c1-7-3-4-9(5-8(7)2)14-10(19)6-17-11(13)15-12(16-17)18(20)21/h3-5H,6H2,1-2H3,(H,14,19)