diethyl 2-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-2-prop-2-enyl-propanedioate

Systemtic Name: diethyl 2-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]-2-prop-2-enyl-propanedioate Openeye Name: diethyl 2-allyl-2-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]propanedioate CAS Name: 2-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl]-2-prop-2-enylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]malonic acid diethyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC=C)(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br)C(=O)OCC

InChI

InChI=1S/C21H25BrN2O5/c1-5-13-21(19(26)28-6-2,20(27)29-7-3)14-16-17(22)18(25)24(23(16)4)15-11-9-8-10-12-15/h5,8-12H,1,6-7,13-14H2,2-4H3