(3-bromophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3-bromophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (3-bromophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (3-bromobenzyl) ester Formula: C15H12BrNO4S MolecularWeight: 382.22908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrNO4S/c1-22-14-6-5-11(8-13(14)17(19)20)15(18)21-9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3