2-[2-[(2,2-diethyl-4-oxidanylidene-1,3-benzoxazin-3-yl)carbonyl]-3-oxidanyl-butyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(2,2-diethyl-4-oxidanylidene-1,3-benzoxazin-3-yl)carbonyl]-3-oxidanyl-butyl]isoindole-1,3-dione Openeye Name: 2-[2-(2,2-diethyl-4-oxo-1,3-benzoxazine-3-carbonyl)-3-hydroxy-butyl]isoindoline-1,3-dione CAS Name: 2-[2-[(2,2-diethyl-4-oxo-1,3-benzoxazin-3-yl)-oxomethyl]-3-hydroxybutyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2,2-diethyl-4-oxo-1,3-benzoxazine-3-carbonyl)-3-hydroxybutyl]isoindole-1,3-dione Traditional Name: 2-[2-(2,2-diethyl-4-keto-1,3-benzoxazine-3-carbonyl)-3-hydroxy-butyl]isoindoline-1,3-quinone Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(N(C(=O)C2=CC=CC=C2O1)C(=O)C(CN3C(=O)C4=CC=CC=C4C3=O)C(C)O)CC

Isomeric SMILES

CCC1(N(C(=O)C2=CC=CC=C2O1)C(=O)C(CN3C(=O)C4=CC=CC=C4C3=O)C(C)O)CC

InChI

InChI=1S/C25H26N2O6/c1-4-25(5-2)27(23(31)18-12-8-9-13-20(18)33-25)24(32)19(15(3)28)14-26-21(29)16-10-6-7-11-17(16)22(26)30/h6-13,15,19,28H,4-5,14H2,1-3H3