(5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide

Systemtic Name: (5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide Openeye Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide CAS Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide IUPAC Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide Traditional Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone bromide Formula: C11H12BrN5O3 MolecularWeight: 342.14868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1C)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=NN(C(=[N+]1C)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C11H11N5O3.BrH/c1-7-13-15(11(12)14(7)2)10(17)8-3-5-9(6-4-8)16(18)19;/h3-6,12H,1-2H3;1H