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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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