methyl 2-(4-bromophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-(4-bromophenyl)sulfanyl-5-nitro-benzoate Openeye Name: methyl 2-(4-bromophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-bromophenyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-bromophenyl)thio]-5-nitro-benzoic acid methyl ester Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Br

InChI

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