3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-nitroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(4-nitroanilino)ethyl]thio]propionic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5S/c14-10(7-19-6-5-11(15)16)12-8-1-3-9(4-2-8)13(17)18/h1-4H,5-7H2,(H,12,14)(H,15,16)