(2-benzamido-2-oxidanylidene-ethyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O6/c1-2-10-23-19(26)15-9-8-14(11-16(15)20(23)27)21(28)29-12-17(24)22-18(25)13-6-4-3-5-7-13/h2-9,11H,1,10,12H2,(H,22,24,25)