methyl 3-(bromomethyl)-5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(bromomethyl)-5-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(bromomethyl)-5-nitro-benzothiophene-2-carboxylate CAS Name: 3-(bromomethyl)-5-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-(bromomethyl)-5-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C11H8BrNO4S MolecularWeight: 330.15452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CBr

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CBr

InChI

InChI=1S/C11H8BrNO4S/c1-17-11(14)10-8(5-12)7-4-6(13(15)16)2-3-9(7)18-10/h2-4H,5H2,1H3