dimethyl (E)-2-(5-methyl-3-oxidanylidene-2-phenyl-pyrazolidin-1-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(5-methyl-3-oxidanylidene-2-phenyl-pyrazolidin-1-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(5-methyl-3-oxo-2-phenyl-pyrazolidin-1-yl)but-2-enedioate CAS Name: (E)-2-(5-methyl-3-oxo-2-phenyl-1-pyrazolidinyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(5-methyl-3-oxo-2-phenylpyrazolidin-1-yl)but-2-enedioate Traditional Name: (E)-2-(3-keto-5-methyl-2-phenyl-pyrazolidin-1-yl)but-2-enedioic acid dimethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1C(=CC(=O)OC)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1CC(=O)N(N1/C(=C/C(=O)OC)/C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5/c1-11-9-14(19)18(12-7-5-4-6-8-12)17(11)13(16(21)23-3)10-15(20)22-2/h4-8,10-11H,9H2,1-3H3/b13-10+