2-(4-cyanophenoxy)ethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 2-(4-cyanophenoxy)ethyl ester Formula: C18H12N2O5S MolecularWeight: 368.36328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCOC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCOC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O5S/c19-11-12-1-4-15(5-2-12)24-7-8-25-18(21)17-10-13-9-14(20(22)23)3-6-16(13)26-17/h1-6,9-10H,7-8H2