ethyl 3-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-5-methyl-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl 3-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-5-methyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate Traditional Name: 3-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)-2-keto-5-methyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(OC1=O)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC(OC1=O)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O6/c1-3-24-12(20)16(9-10(2)25-13(16)21)19-15(23)18(14(22)17-19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,17,22)