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

Systemtic Name: 3-[(5S)-5-(3-methoxyphenyl)-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-5-(3-methoxyphenyl)-3-methyl-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-10-9-14(19,17(16-10)13(18)6-7-15)11-4-3-5-12(8-11)20-2/h3-5,8,19H,6,9H2,1-2H3/t14-/m0/s1