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

Systemtic Name: O1-ethyl O4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl] ester IUPAC Name: 1-O-ethyl 4-O-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H18N2O5/c1-3-12-5-7-13(8-6-12)17-18-14(24-19-17)11-23-16(21)10-9-15(20)22-4-2/h5-10H,3-4,11H2,1-2H3/b10-9+