1,3-bis(oxidanylidene)-2-(4-oxidanylidene-4-phenylmethoxy-butyl)isoindole-5-carboxylate

Systemtic Name: 1,3-bis(oxidanylidene)-2-(4-oxidanylidene-4-phenylmethoxy-butyl)isoindole-5-carboxylate Openeye Name: 2-(4-benzyloxy-4-oxo-butyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(4-oxo-4-phenylmethoxybutyl)-5-isoindolecarboxylate IUPAC Name: 1,3-dioxo-2-(4-oxo-4-phenylmethoxybutyl)isoindole-5-carboxylate Traditional Name: 2-(4-benzoxy-4-keto-butyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C20H16NO6- MolecularWeight: 366.34414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H17NO6/c22-17(27-12-13-5-2-1-3-6-13)7-4-10-21-18(23)15-9-8-14(20(25)26)11-16(15)19(21)24/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,25,26)/p-1