3-cyanopropyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 3-cyanopropyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 3-cyanopropyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 3-cyanopropyl ester Formula: C13H10N2O4S MolecularWeight: 290.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCCCC#N

InChI

InChI=1S/C13H10N2O4S/c14-5-1-2-6-19-13(16)12-8-9-7-10(15(17)18)3-4-11(9)20-12/h3-4,7-8H,1-2,6H2