[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H12BrNO5S/c17-12-7-5-11(6-8-12)14(19)9-23-16(20)10-24-15-4-2-1-3-13(15)18(21)22/h1-8H,9-10H2