ethyl (3S)-3-cyano-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl (3S)-3-cyano-2-phenyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl (3S)-3-cyano-2-phenyl-3,4-dihydropyrazole-5-carboxylate CAS Name: (3S)-3-cyano-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-cyano-2-phenyl-3,4-dihydropyrazole-5-carboxylate Traditional Name: (5S)-5-cyano-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN([C@@H](C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O2/c1-2-18-13(17)12-8-11(9-14)16(15-12)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3/t11-/m0/s1