3-[(5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-3-methyl-5-phenyl-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CC#N

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=CC=C2)O)C(=O)CC#N

InChI

InChI=1S/C13H13N3O2/c1-10-9-13(18,11-5-3-2-4-6-11)16(15-10)12(17)7-8-14/h2-6,18H,7,9H2,1H3/t13-/m0/s1