1-[4-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(5-bromo-2-thienyl)ethylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(5-bromo-2-thiophenyl)ethylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(5-bromothiophen-2-yl)ethylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(5-bromo-2-thienyl)ethylamino]-3-nitro-phenyl]ethanone Formula: C14H13BrN2O3S MolecularWeight: 369.23362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCC2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCC2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O3S/c1-9(18)10-2-4-12(13(8-10)17(19)20)16-7-6-11-3-5-14(15)21-11/h2-5,8,16H,6-7H2,1H3