[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O5/c1-14(30-16-10-8-15(12-23)9-11-16)20(27)29-13-19(26)25-18-7-5-4-6-17(18)24-21(28)22(25,2)3/h4-11,14H,13H2,1-3H3,(H,24,28)/t14-/m1/s1