cyanomethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: cyanomethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: cyanomethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid cyanomethyl ester Formula: C11H6N2O4S MolecularWeight: 262.24134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N2O4S/c12-3-4-17-11(14)10-6-7-5-8(13(15)16)1-2-9(7)18-10/h1-2,5-6H,4H2