(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl benzoate

Systemtic Name: (4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl benzoate Openeye Name: (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl benzoate CAS Name: benzoic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl benzoate Traditional Name: benzoic acid (3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c1-18(13-23-16(21)14-8-4-2-5-9-14)12-20(19-17(18)22)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,22)