2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; (3Z)-5-ethanoyl-6-oxidanyl-3-(1-phenylazanylethylidene)pyran-2,4-dione

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-one; (3Z)-5-ethanoyl-6-oxidanyl-3-(1-phenylazanylethylidene)pyran-2,4-dione Openeye Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxy-pyran-2,4-dione; 2,2-dimethyloxaziridin-2-ium-3-one CAS Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxypyran-2,4-dione; 2,2-dimethyl-3-oxaziridin-2-iumone IUPAC Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxypyran-2,4-dione; 2,2-dimethyloxaziridin-2-ium-3-one Traditional Name: (3Z)-5-acetyl-3-(1-anilinoethylidene)-6-hydroxy-pyran-2,4-quinone; 2,2-dimethyloxaziridin-2-ium-3-one Formula: C18H19N2O7+ MolecularWeight: 375.35266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC(=O)C(=C(C)NC2=CC=CC=C2)C1=O)O.C[N+]1(C(=O)O1)C

Isomeric SMILES

CC(=O)C1=C(OC(=O)/C(=C(/C)\NC2=CC=CC=C2)/C1=O)O.C[N+]1(C(=O)O1)C

InChI

InChI=1S/C15H13NO5.C3H6NO2/c1-8(16-10-6-4-3-5-7-10)11-13(18)12(9(2)17)15(20)21-14(11)19;1-4(2)3(5)6-4/h3-7,16,20H,1-2H3;1-2H3/q;+1/b11-8-;