2-[4-[3-(2-hydroxyethyl)-1-oxidanylidene-isochromen-7-yl]but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(2-hydroxyethyl)-1-oxidanylidene-isochromen-7-yl]but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(2-hydroxyethyl)-1-oxo-isochromen-7-yl]but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[3-(2-hydroxyethyl)-1-oxo-2-benzopyran-7-yl]but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(2-hydroxyethyl)-1-oxoisochromen-7-yl]but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[3-(2-hydroxyethyl)-1-keto-isochromen-7-yl]but-3-ynyl]isoindoline-1,3-quinone Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CC4=C(C=C3)C=C(OC4=O)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CC4=C(C=C3)C=C(OC4=O)CCO

InChI

InChI=1S/C23H17NO5/c25-12-10-17-14-16-9-8-15(13-20(16)23(28)29-17)5-3-4-11-24-21(26)18-6-1-2-7-19(18)22(24)27/h1-2,6-9,13-14,25H,4,10-12H2