methyl 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzoate

Systemtic Name: methyl 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzoate Openeye Name: methyl 4-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)benzoate CAS Name: 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzoate Traditional Name: 4-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)benzoic acid methyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C13H16N2O3/c1-13(2)8-15(14-12(13)17)10-6-4-9(5-7-10)11(16)18-3/h4-7H,8H2,1-3H3,(H,14,17)