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

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-15(17-14-4-2-1-3-13(14)16(20)21)10-24-9-11-5-7-12(8-6-11)18(22)23/h1-8H,9-10H2,(H,17,19)(H,20,21)