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

Systemtic Name: [7-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 2-nitrobenzoate Openeye Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [7-(4-chlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C20H10ClNO6S MolecularWeight: 427.8145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3)[N+](=O)[O-]

InChI

InChI=1S/C20H10ClNO6S/c21-12-7-5-11(6-8-12)15-9-13(10-17-18(15)28-20(24)29-17)27-19(23)14-3-1-2-4-16(14)22(25)26/h1-10H