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

Systemtic Name: 2-[(2-methyl-4-nitro-phenyl)amino]propane-1,3-diol Openeye Name: 2-(2-methyl-4-nitro-anilino)propane-1,3-diol CAS Name: 2-(2-methyl-4-nitroanilino)propane-1,3-diol IUPAC Name: 2-(2-methyl-4-nitroanilino)propane-1,3-diol Traditional Name: 2-(2-methyl-4-nitro-anilino)propane-1,3-diol Formula: C10H14N2O4 MolecularWeight: 226.22916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4/c1-7-4-9(12(15)16)2-3-10(7)11-8(5-13)6-14/h2-4,8,11,13-14H,5-6H2,1H3