3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[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(=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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