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

Systemtic Name: O3-ethyl O5-methyl (4R,5S)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl (4R,5S)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate CAS Name: (4R,5S)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl (4R,5S)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate Traditional Name: (4R,5S)-4-phenyl-2-pyrazoline-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=NN[C@@H]([C@H]1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H16N2O4/c1-3-20-14(18)12-10(9-7-5-4-6-8-9)11(15-16-12)13(17)19-2/h4-8,10-11,15H,3H2,1-2H3/t10-,11+/m1/s1