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

Systemtic Name: 4-[[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(4-nitrobenzyl)thio]acetyl]amino]methyl]benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O5S/c20-16(18-9-12-1-5-14(6-2-12)17(21)22)11-25-10-13-3-7-15(8-4-13)19(23)24/h1-8H,9-11H2,(H,18,20)(H,21,22)