3-[(4-chloranyl-2-nitro-phenyl)methoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)methoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate Openeye Name: 3-[(4-chloro-2-nitro-phenyl)methoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinate CAS Name: 3-[(4-chloro-2-nitrophenyl)methoxy]-5-methoxy-1-(4-methylphenyl)-4-indazolesulfinate IUPAC Name: 3-[(4-chloro-2-nitrophenyl)methoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinate Traditional Name: 3-(4-chloro-2-nitro-benzyl)oxy-5-methoxy-1-(p-tolyl)indazole-4-sulfinate Formula: C22H17ClN3O6S- MolecularWeight: 486.90488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OCC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)[O-])C(=N2)OCC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O6S/c1-13-3-7-16(8-4-13)25-17-9-10-19(31-2)21(33(29)30)20(17)22(24-25)32-12-14-5-6-15(23)11-18(14)26(27)28/h3-11H,12H2,1-2H3,(H,29,30)/p-1