N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (4-bromo-3-nitro-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C12H14BrN5O2 MolecularWeight: 340.17586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=CN1C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=CN1C)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H14BrN5O2/c1-8(12-16-15-7-17(12)2)14-6-9-3-4-10(13)11(5-9)18(19)20/h3-5,7-8,14H,6H2,1-2H3