5-bromanyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H13BrN2O5S MolecularWeight: 425.25382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O5S/c17-11-3-6-14(13(7-11)16(21)22)18-15(20)9-25-8-10-1-4-12(5-2-10)19(23)24/h1-7H,8-9H2,(H,18,20)(H,21,22)