4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzenecarbonitrile Openeye Name: 4-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)benzonitrile CAS Name: 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)benzonitrile IUPAC Name: 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzonitrile Traditional Name: 4-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)benzonitrile Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C12H13N3O/c1-12(2)8-15(14-11(12)16)10-5-3-9(7-13)4-6-10/h3-6H,8H2,1-2H3,(H,14,16)