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

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)methoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinic acid Openeye Name: 3-[(4-chloro-2-nitro-phenyl)methoxy]-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid CAS Name: 3-[(4-chloro-2-nitrophenyl)methoxy]-5-methoxy-1-(4-methylphenyl)-4-indazolesulfinic acid IUPAC Name: 3-[(4-chloro-2-nitrophenyl)methoxy]-5-methoxy-1-(4-methylphenyl)indazole-4-sulfinic acid Traditional Name: 3-(4-chloro-2-nitro-benzyl)oxy-5-methoxy-1-(p-tolyl)indazole-4-sulfinic acid Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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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)