2-[2-(5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-2-oxidanyl-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(5-ethyl-6-methyl-2-oxidanylidene-1H-pyridin-3-yl)-2-oxidanyl-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-2-hydroxy-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]isoindole-1,3-dione Traditional Name: 2-[2-(5-ethyl-2-keto-6-methyl-1H-pyridin-3-yl)-2-hydroxy-ethyl]isoindoline-1,3-quinone Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)O)C

Isomeric SMILES

CCC1=C(NC(=O)C(=C1)C(CN2C(=O)C3=CC=CC=C3C2=O)O)C

InChI

InChI=1S/C18H18N2O4/c1-3-11-8-14(16(22)19-10(11)2)15(21)9-20-17(23)12-6-4-5-7-13(12)18(20)24/h4-8,15,21H,3,9H2,1-2H3,(H,19,22)