2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]-2-methyl-phenyl]propanoic acid

Systemtic Name: 2-[4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]-2-methyl-phenyl]propanoic acid Openeye Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methyl-phenyl]propanoic acid CAS Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-2-methylphenyl]propanoic acid IUPAC Name: 2-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]-2-methylphenyl]propanoic acid Traditional Name: 2-[4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]-2-methyl-phenyl]propionic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)C(C)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)C(C)C(=O)O)C)C

InChI

InChI=1S/C17H19N3O4/c1-9-8-13(5-6-14(9)12(4)17(21)22)19-16-15(20(23)24)10(2)7-11(3)18-16/h5-8,12H,1-4H3,(H,18,19)(H,21,22)