2-[(3Z)-3-[(4-nitrophenyl)methylidene]-2-oxidanylidene-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3Z)-3-[(4-nitrophenyl)methylidene]-2-oxidanylidene-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3Z)-3-[(4-nitrophenyl)methylene]-2-oxo-indolin-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3Z)-3-[(4-nitrophenyl)methylidene]-2-oxo-1H-indol-4-yl]ethyl ester IUPAC Name: 2-[(3Z)-3-[(4-nitrophenyl)methylidene]-2-oxo-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-keto-3-(4-nitrobenzylidene)indolin-4-yl]ethyl ester Formula: C24H20N2O6S MolecularWeight: 464.4904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C3C(=CC=C2)NC(=O)C3=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C\3C(=CC=C2)NC(=O)/C3=C\C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6S/c1-16-5-11-20(12-6-16)33(30,31)32-14-13-18-3-2-4-22-23(18)21(24(27)25-22)15-17-7-9-19(10-8-17)26(28)29/h2-12,15H,13-14H2,1H3,(H,25,27)/b21-15-