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

Systemtic Name: ethyl (3S,4S)-3-(4-chlorophenyl)-2-methyl-3,4-dihydropyrazole-4-carboxylate Openeye Name: ethyl (3S,4S)-3-(4-chlorophenyl)-2-methyl-3,4-dihydropyrazole-4-carboxylate CAS Name: (3S,4S)-3-(4-chlorophenyl)-2-methyl-3,4-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-3-(4-chlorophenyl)-2-methyl-3,4-dihydropyrazole-4-carboxylate Traditional Name: (4S,5S)-5-(4-chlorophenyl)-1-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H15ClN2O2 MolecularWeight: 266.7234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2/c1-3-18-13(17)11-8-15-16(2)12(11)9-4-6-10(14)7-5-9/h4-8,11-12H,3H2,1-2H3/t11-,12-/m1/s1