[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] ester Formula: C22H12F3NO5S MolecularWeight: 459.39459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)OC3=CC=CC=C3OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)OC3=CC=CC=C3OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H12F3NO5S/c23-22(24,25)14-9-10-16(15(12-14)26(28)29)30-17-6-2-3-7-18(17)31-21(27)20-11-13-5-1-4-8-19(13)32-20/h1-12H