5-methoxy-1-(4-methylphenyl)-3-[2-(4-nitrophenoxy)ethoxy]indazole-4-sulfinic acid

Systemtic Name: 5-methoxy-1-(4-methylphenyl)-3-[2-(4-nitrophenoxy)ethoxy]indazole-4-sulfinic acid Openeye Name: 5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]-1-(p-tolyl)indazole-4-sulfinic acid CAS Name: 5-methoxy-1-(4-methylphenyl)-3-[2-(4-nitrophenoxy)ethoxy]-4-indazolesulfinic acid IUPAC Name: 5-methoxy-1-(4-methylphenyl)-3-[2-(4-nitrophenoxy)ethoxy]indazole-4-sulfinic acid Traditional Name: 5-methoxy-3-[2-(4-nitrophenoxy)ethoxy]-1-(p-tolyl)indazole-4-sulfinic acid Formula: C23H21N3O7S MolecularWeight: 483.49374

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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)OCCOC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=C(C=C3)OC)S(=O)O)C(=N2)OCCOC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c1-15-3-5-16(6-4-15)25-19-11-12-20(31-2)22(34(29)30)21(19)23(24-25)33-14-13-32-18-9-7-17(8-10-18)26(27)28/h3-12H,13-14H2,1-2H3,(H,29,30)