N-[2-(5-bromanylthiophen-2-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C16H17BrN2O6S MolecularWeight: 445.28498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCCC2=CC=C(S2)Br)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCCC2=CC=C(S2)Br)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C16H17BrN2O6S/c1-23-11-8-10(13(19(21)22)15(25-3)14(11)24-2)16(20)18-7-6-9-4-5-12(17)26-9/h4-5,8H,6-7H2,1-3H3,(H,18,20)