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

Systemtic Name: 2-[2-chloranyl-4-[(4,6-dimethyl-3-nitro-pyridin-2-yl)amino]phenyl]propanoic acid Openeye Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]propanoic acid CAS Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl]propanoic acid IUPAC Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]phenyl]propanoic acid Traditional Name: 2-[2-chloro-4-[(4,6-dimethyl-3-nitro-2-pyridyl)amino]phenyl]propionic acid Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c1-8-6-9(2)18-15(14(8)20(23)24)19-11-4-5-12(13(17)7-11)10(3)16(21)22/h4-7,10H,1-3H3,(H,18,19)(H,21,22)