methyl 2-(4-bromanyl-2-nitro-phenyl)sulfanylbenzoate

Systemtic Name: methyl 2-(4-bromanyl-2-nitro-phenyl)sulfanylbenzoate Openeye Name: methyl 2-(4-bromo-2-nitro-phenyl)sulfanylbenzoate CAS Name: 2-[(4-bromo-2-nitrophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-bromo-2-nitro-phenyl)thio]benzoic acid methyl ester Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO4S/c1-20-14(17)10-4-2-3-5-12(10)21-13-7-6-9(15)8-11(13)16(18)19/h2-8H,1H3