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

Systemtic Name: 2-[3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid CAS Name: 2-[3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[3-[[2-[(4-nitrobenzyl)thio]acetyl]amino]phenoxy]acetic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6S/c20-16(11-26-10-12-4-6-14(7-5-12)19(23)24)18-13-2-1-3-15(8-13)25-9-17(21)22/h1-8H,9-11H2,(H,18,20)(H,21,22)