[7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-nitrobenzoate

Systemtic Name: [7-(4-ethoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-nitrobenzoate Openeye Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-keto-7-p-phenetyl-1,3-benzoxathiol-5-yl) ester Formula: C22H15NO7S MolecularWeight: 437.422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H15NO7S/c1-2-28-14-9-7-13(8-10-14)17-11-15(12-19-20(17)30-22(25)31-19)29-21(24)16-5-3-4-6-18(16)23(26)27/h3-12H,2H2,1H3