(2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-nitrobenzoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) 4-nitrobenzoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C14H7NO6S MolecularWeight: 317.27348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

InChI

InChI=1S/C14H7NO6S/c16-13(8-1-3-9(4-2-8)15(18)19)20-10-5-6-11-12(7-10)22-14(17)21-11/h1-7H