2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]-5-oxidanyl-benzoate

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]-5-oxidanyl-benzoate Openeye Name: 5-hydroxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 5-hydroxy-2-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoate IUPAC Name: 5-hydroxy-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 5-hydroxy-2-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoate Formula: C16H13N2O6S- MolecularWeight: 361.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6S/c19-12-5-6-14(13(7-12)16(21)22)17-15(20)9-25-8-10-1-3-11(4-2-10)18(23)24/h1-7,19H,8-9H2,(H,17,20)(H,21,22)/p-1