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

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-1-thiophen-2-yl-ethanamine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-1-(2-thienyl)ethanamine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine Traditional Name: (4-bromo-3-nitro-benzyl)-[1-(2-thienyl)ethyl]amine Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O2S/c1-9(13-3-2-6-19-13)15-8-10-4-5-11(14)12(7-10)16(17)18/h2-7,9,15H,8H2,1H3