2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methoxy]but-2-ynoxymethyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methoxy]but-2-ynoxymethyl]isoindole-1,3-dione Openeye Name: 2-[4-[(1,3-dioxoisoindolin-2-yl)methoxy]but-2-ynoxymethyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1,3-dioxo-2-isoindolyl)methoxy]but-2-ynoxymethyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(1,3-dioxoisoindol-2-yl)methoxy]but-2-ynoxymethyl]isoindole-1,3-dione Traditional Name: 2-[4-(phthalimidomethoxy)but-2-ynoxymethyl]isoindoline-1,3-quinone Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)COCC#CCOCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)COCC#CCOCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H16N2O6/c25-19-15-7-1-2-8-16(15)20(26)23(19)13-29-11-5-6-12-30-14-24-21(27)17-9-3-4-10-18(17)22(24)28/h1-4,7-10H,11-14H2