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

Systemtic Name: [7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-nitrobenzoate Openeye Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-7-(4-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H13NO7S MolecularWeight: 423.39542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO7S/c1-27-15-8-4-12(5-9-15)17-10-16(11-18-19(17)29-21(24)30-18)28-20(23)13-2-6-14(7-3-13)22(25)26/h2-11H,1H3