2-(3-bromanylphenoxy)ethyl 5-nitrothiophene-2-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 5-nitrothiophene-2-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C13H10BrNO5S MolecularWeight: 372.1912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCCOC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCCOC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrNO5S/c14-9-2-1-3-10(8-9)19-6-7-20-13(16)11-4-5-12(21-11)15(17)18/h1-5,8H,6-7H2