diethyl (E)-2-(3,5-dimethylpyrazol-1-yl)but-2-enedioate

Systemtic Name: diethyl (E)-2-(3,5-dimethylpyrazol-1-yl)but-2-enedioate Openeye Name: diethyl (E)-2-(3,5-dimethylpyrazol-1-yl)but-2-enedioate CAS Name: (E)-2-(3,5-dimethyl-1-pyrazolyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(3,5-dimethylpyrazol-1-yl)but-2-enedioate Traditional Name: (E)-2-(3,5-dimethylpyrazol-1-yl)but-2-enedioic acid diethyl ester Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C(=CC(=N1)C)C

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C(=CC(=N1)C)C

InChI

InChI=1S/C13H18N2O4/c1-5-18-12(16)8-11(13(17)19-6-2)15-10(4)7-9(3)14-15/h7-8H,5-6H2,1-4H3/b11-8+