2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluoranylbenzoate

Systemtic Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluoranylbenzoate Openeye Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl ester IUPAC Name: 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-[(7-nitrobenzofurazan-4-yl)thio]ethyl ester Formula: C15H10FN3O5S MolecularWeight: 363.320403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C3=NON=C23)[N+](=O)[O-])F

InChI

InChI=1S/C15H10FN3O5S/c16-10-3-1-9(2-4-10)15(20)23-7-8-25-12-6-5-11(19(21)22)13-14(12)18-24-17-13/h1-6H,7-8H2