O4-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=CC=CC=C1C#N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C16H16N2O5/c1-3-22-14(19)8-9-15(20)23-11(2)16(21)18-13-7-5-4-6-12(13)10-17/h4-9,11H,3H2,1-2H3,(H,18,21)/b9-8+/t11-/m1/s1