O1-ethyl O4-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl] ester IUPAC Name: 1-O-ethyl 4-O-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl] ester Formula: C17H16FNO5 MolecularWeight: 333.311043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=NOC(=C1C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=NOC(=C1C)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO5/c1-3-22-15(20)8-9-16(21)23-10-14-11(2)17(24-19-14)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3/b9-8+