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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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