diethyl 2-acetamido-2-[(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-enyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-enyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(E)-4-(1,3-dioxoisoindolin-2-yl)but-2-enyl]propanedioate CAS Name: 2-acetamido-2-[(E)-4-(1,3-dioxo-2-isoindolyl)but-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(E)-4-(1,3-dioxoisoindol-2-yl)but-2-enyl]propanedioate Traditional Name: 2-acetamido-2-[(E)-4-phthalimidobut-2-enyl]malonic acid diethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C/C=C/CN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H24N2O7/c1-4-29-19(27)21(22-14(3)24,20(28)30-5-2)12-8-9-13-23-17(25)15-10-6-7-11-16(15)18(23)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,24)/b9-8+