2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid 2-phthalimidoethyl ester Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c26-21-17-8-4-5-9-18(17)22(27)24(21)12-13-31-23(28)15-10-11-20(19(14-15)25(29)30)32-16-6-2-1-3-7-16/h1-11,14H,12-13H2