O5-tert-butyl O3-methyl (4R,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate

Systemtic Name: O5-tert-butyl O3-methyl (4R,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Openeye Name: O5-tert-butyl O3-methyl (4R,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate CAS Name: (4R,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester IUPAC Name: 5-O-tert-butyl 3-O-methyl (4R,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Traditional Name: (4R,5R)-4-phenyl-2-pyrazoline-3,5-dicarboxylic acid O5-tert-butyl ester O3-methyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C(=NN1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1[C@H](C(=NN1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)13-11(10-8-6-5-7-9-10)12(17-18-13)14(19)21-4/h5-9,11,13,18H,1-4H3/t11-,13+/m0/s1