(2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (2-oxidanylidene-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-nitrophenoxy)ethanoate Openeye Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-7-phenyl-1,3-benzoxathiol-5-yl) 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (2-keto-7-phenyl-1,3-benzoxathiol-5-yl) ester Formula: C21H13NO7S MolecularWeight: 423.39542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO7S/c23-19(12-27-15-8-6-14(7-9-15)22(25)26)28-16-10-17(13-4-2-1-3-5-13)20-18(11-16)30-21(24)29-20/h1-11H,12H2