methyl (3S,5R)-3-ethynyl-5-methyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (3S,5R)-3-ethynyl-5-methyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (3S,5R)-3-ethynyl-5-methyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3S,5R)-3-ethynyl-5-methyl-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3S,5R)-3-ethynyl-5-methyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,5S)-5-ethynyl-3-methyl-1-pyrazoline-3-carboxylic acid methyl ester Formula: C8H10N2O2 MolecularWeight: 166.1772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N=N1)C#C)C(=O)OC

Isomeric SMILES

C[C@@]1(C[C@H](N=N1)C#C)C(=O)OC

InChI

InChI=1S/C8H10N2O2/c1-4-6-5-8(2,10-9-6)7(11)12-3/h1,6H,5H2,2-3H3/t6-,8-/m1/s1