ethyl (3S,4S)-2-methyl-3-phenyl-3,4-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl (3S,4S)-2-methyl-3-phenyl-3,4-dihydropyrazole-4-carboxylate Openeye Name: ethyl (3S,4S)-2-methyl-3-phenyl-3,4-dihydropyrazole-4-carboxylate CAS Name: (3S,4S)-2-methyl-3-phenyl-3,4-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-2-methyl-3-phenyl-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S,5S)-1-methyl-5-phenyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=NN(C1C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-3-17-13(16)11-9-14-15(2)12(11)10-7-5-4-6-8-10/h4-9,11-12H,3H2,1-2H3/t11-,12-/m1/s1