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

Systemtic Name: diethyl 2-[[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]methylene]propanedioate CAS Name: 2-[[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedioate Traditional Name: 2-[[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]methylene]malonic acid diethyl ester Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC(=C1)C2=NN(C=C2Br)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC=CC(=C1)C2=NN(C=C2Br)C)C(=O)OCC

InChI

InChI=1S/C18H20BrN3O4/c1-4-25-17(23)14(18(24)26-5-2)10-20-13-8-6-7-12(9-13)16-15(19)11-22(3)21-16/h6-11,20H,4-5H2,1-3H3