(4-nitrophenyl) 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: (4-nitrophenyl) 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate Openeye Name: (4-nitrophenyl) 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate Traditional Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid (4-nitrophenyl) ester Formula: C19H14ClN3O6S MolecularWeight: 447.84896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H14ClN3O6S/c1-27-15-10-16(28-2)22-19(21-15)30-14-5-3-4-13(20)17(14)18(24)29-12-8-6-11(7-9-12)23(25)26/h3-10H,1-2H3