(2-bromanyl-4,5-dimethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C14H12BrNO6S MolecularWeight: 402.21718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C14H12BrNO6S/c1-20-10-5-8(9(15)6-11(10)21-2)7-22-14(17)12-3-4-13(23-12)16(18)19/h3-6H,7H2,1-2H3