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

Systemtic Name: diethyl 2-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl]propanedioate Openeye Name: diethyl 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]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]propanedioate Traditional Name: 2-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]malonic acid diethyl ester Formula: C18H21BrN2O5 MolecularWeight: 425.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5/c1-4-25-17(23)13(18(24)26-5-2)11-14-15(19)16(22)21(20(14)3)12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3