(2,6-dimethylphenyl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 5-nitrothiophene-2-carboxylate Openeye Name: (2,6-dimethylphenyl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (2,6-dimethylphenyl) ester Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO4S/c1-8-4-3-5-9(2)12(8)18-13(15)10-6-7-11(19-10)14(16)17/h3-7H,1-2H3