O3-ethyl O2-(phenylmethyl) (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-(phenylmethyl) (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate Openeye Name: O2-benzyl O3-ethyl (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate CAS Name: (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylic acid O3-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-ethyl (3S,4R)-4-methyl-3,4-dihydropyrazole-2,3-dicarboxylate Traditional Name: (4R,5S)-4-methyl-2-pyrazoline-1,5-dicarboxylic acid O1-benzyl ester O5-ethyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C=NN1C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C=NN1C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C15H18N2O4/c1-3-20-14(18)13-11(2)9-16-17(13)15(19)21-10-12-7-5-4-6-8-12/h4-9,11,13H,3,10H2,1-2H3/t11-,13-/m0/s1