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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C18H14N2O8S MolecularWeight: 418.37736

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O8S/c1-29(26,27)15-7-6-11(10-14(15)20(24)25)18(23)28-9-8-19-16(21)12-4-2-3-5-13(12)17(19)22/h2-7,10H,8-9H2,1H3