(3Z)-3-[(3-iodanylphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole

Systemtic Name: (3Z)-3-[(3-iodanylphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Openeye Name: (3Z)-3-[(3-iodophenyl)methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline CAS Name: (3Z)-3-[(3-iodophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole IUPAC Name: (3Z)-3-[(3-iodophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Traditional Name: (3Z)-3-(3-iodobenzylidene)-4,6-dinitro-1-tosyl-indoline Formula: C22H16IN3O6S MolecularWeight: 577.34841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC(=CC=C3)I)C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC(=CC=C3)I)/C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16IN3O6S/c1-14-5-7-19(8-6-14)33(31,32)24-13-16(9-15-3-2-4-17(23)10-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-9+