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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]acetic acid (4-nitrobenzyl) ester Formula: C17H14BrNO5S MolecularWeight: 424.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO5S/c18-14-5-3-13(4-6-14)16(20)10-25-11-17(21)24-9-12-1-7-15(8-2-12)19(22)23/h1-8H,9-11H2