[3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [3-[(4-fluoranylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H12FN3O6S MolecularWeight: 429.378483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NOC(=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C19H12FN3O6S/c20-12-1-4-14(5-2-12)27-9-17-21-18(29-22-17)10-28-19(24)16-8-11-7-13(23(25)26)3-6-15(11)30-16/h1-8H,9-10H2