3-[2-[(2-methyl-4-nitro-phenyl)amino]ethylsulfanyl]propane-1,2-diol

Systemtic Name: 3-[2-[(2-methyl-4-nitro-phenyl)amino]ethylsulfanyl]propane-1,2-diol Openeye Name: 3-[2-(2-methyl-4-nitro-anilino)ethylsulfanyl]propane-1,2-diol CAS Name: 3-[2-(2-methyl-4-nitroanilino)ethylthio]propane-1,2-diol IUPAC Name: 3-[2-(2-methyl-4-nitroanilino)ethylsulfanyl]propane-1,2-diol Traditional Name: 3-[2-(2-methyl-4-nitro-anilino)ethylthio]propane-1,2-diol Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-9-6-10(14(17)18)2-3-12(9)13-4-5-19-8-11(16)7-15/h2-3,6,11,13,15-16H,4-5,7-8H2,1H3