[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO5S/c1-24-15-6-5-11(8-13(15)18(21)22)16(20)23-9-14(19)10-3-2-4-12(17)7-10/h2-8H,9H2,1H3