3-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-hydroxy-5-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-hydroxy-5-nitro-anilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6S/c14-9-2-1-7(13(18)19)5-8(9)12-10(15)6-20-4-3-11(16)17/h1-2,5,14H,3-4,6H2,(H,12,15)(H,16,17)