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

Systemtic Name: O1-ethyl O4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] ester IUPAC Name: 1-O-ethyl 4-O-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl] ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=NC(=NO1)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=NC(=NO1)C2=CC=CC=C2C

InChI

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