(6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C13H8BrNO6S MolecularWeight: 386.17472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrNO6S/c14-8-4-10-9(20-6-21-10)3-7(8)5-19-13(16)11-1-2-12(22-11)15(17)18/h1-4H,5-6H2