ethyl 2-cyano-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-cyano-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-5-oxidanylidene-hexanoate Openeye Name: ethyl 2-cyano-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-5-oxo-hexanoate CAS Name: 2-cyano-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-5-oxohexanoate Traditional Name: 2-cyano-5-keto-3-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)hexanoic acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C(C#N)C(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C

InChI

InChI=1S/C18H20N2O5/c1-4-23-17(22)14(11-19)15(10-12(2)21)18(3)24-16(20-25-18)13-8-6-5-7-9-13/h5-9,14-15H,4,10H2,1-3H3