diethyl 2-[3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]-2-nitro-propanedioate

Systemtic Name: diethyl 2-[3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]-2-nitro-propanedioate Openeye Name: diethyl 2-[3-[(1,3-dioxoisoindolin-2-yl)methyl]phenyl]-2-nitro-propanedioate CAS Name: 2-[3-[(1,3-dioxo-2-isoindolyl)methyl]phenyl]-2-nitropropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-nitropropanedioate Traditional Name: 2-nitro-2-[3-(phthalimidomethyl)phenyl]malonic acid diethyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8/c1-3-31-20(27)22(24(29)30,21(28)32-4-2)15-9-7-8-14(12-15)13-23-18(25)16-10-5-6-11-17(16)19(23)26/h5-12H,3-4,13H2,1-2H3