O4-butyl O1-ethyl 2-pyrazol-1-ylbutanedioate

Systemtic Name: O4-butyl O1-ethyl 2-pyrazol-1-ylbutanedioate Openeye Name: O4-butyl O1-ethyl 2-pyrazol-1-ylbutanedioate CAS Name: 2-(1-pyrazolyl)butanedioic acid O4-butyl ester O1-ethyl ester IUPAC Name: 4-O-butyl 1-O-ethyl 2-pyrazol-1-ylbutanedioate Traditional Name: 2-pyrazol-1-ylsuccinic acid O4-butyl ester O1-ethyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-3-5-9-19-12(16)10-11(13(17)18-4-2)15-8-6-7-14-15/h6-8,11H,3-5,9-10H2,1-2H3