(3Z)-3-[(5-methylfuran-2-yl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole

Systemtic Name: (3Z)-3-[(5-methylfuran-2-yl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Openeye Name: (3Z)-3-[(5-methyl-2-furyl)methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline CAS Name: (3Z)-3-[(5-methyl-2-furanyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole IUPAC Name: (3Z)-3-[(5-methylfuran-2-yl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Traditional Name: (3Z)-3-[(5-methyl-2-furyl)methylene]-4,6-dinitro-1-tosyl-indoline Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(O3)C)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=C(O3)C)/C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c1-13-3-7-18(8-4-13)32(29,30)22-12-15(9-17-6-5-14(2)31-17)21-19(22)10-16(23(25)26)11-20(21)24(27)28/h3-11H,12H2,1-2H3/b15-9+