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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid phthalimidomethyl ester Formula: C17H12N2O8S MolecularWeight: 404.35078

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O8S/c1-28(25,26)14-7-6-10(8-13(14)19(23)24)17(22)27-9-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-8H,9H2,1H3