O4-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: 4-O-[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(4-butyramidophenyl)-2-keto-ethyl] ester O1-ethyl ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C18H21NO6/c1-3-5-16(21)19-14-8-6-13(7-9-14)15(20)12-25-18(23)11-10-17(22)24-4-2/h6-11H,3-5,12H2,1-2H3,(H,19,21)/b11-10+