(3-cyanophenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C13H8N2O4S MolecularWeight: 288.27862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H8N2O4S/c14-7-9-2-1-3-10(6-9)8-19-13(16)11-4-5-12(20-11)15(17)18/h1-6H,8H2