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3-[2-[(5-methyl-2-nitro-phenyl)amino]ethylsulfanyloxy]propanoic acid

3-[2-[(5-methyl-2-nitro-phenyl)amino]ethylsulfanyloxy]propanoic acid

Systemtic Name:3-[2-[(5-methyl-2-nitro-phenyl)amino]ethylsulfanyloxy]propanoic acid
Openeye Name:3-[2-(5-methyl-2-nitro-anilino)ethylsulfanyloxy]propanoic acid
CAS Name:3-[2-(5-methyl-2-nitroanilino)ethylthio]oxypropanoic acid
IUPAC Name:3-[2-(5-methyl-2-nitroanilino)ethylsulfanyloxy]propanoic acid
Traditional Name:3-[2-(5-methyl-2-nitro-anilino)ethylthio]oxypropionic acid
Formula: C12H16N2O5S
MolecularWeight: 300.33084
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCSOCCC(=O)O


Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCSOCCC(=O)O


InChI

InChI=1S/C12H16N2O5S/c1-9-2-3-11(14(17)18)10(8-9)13-5-7-20-19-6-4-12(15)16/h2-3,8,13H,4-7H2,1H3,(H,15,16)


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