(2-oxidanylidene-2-phenylazanyl-ethyl) 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-piperonyl-isoindoline-5-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H18N2O7/c28-22(26-17-4-2-1-3-5-17)13-32-25(31)16-7-8-18-19(11-16)24(30)27(23(18)29)12-15-6-9-20-21(10-15)34-14-33-20/h1-11H,12-14H2,(H,26,28)