(4-methylsulfanylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C15H12BrNO4S MolecularWeight: 382.22908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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