dimethyl 1-(4-bromanyl-2-chloranyl-phenyl)pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(4-bromanyl-2-chloranyl-phenyl)pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 1-(4-bromo-2-chloro-phenyl)pyrazole-3,4-dicarboxylate CAS Name: 1-(4-bromo-2-chlorophenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromo-2-chlorophenyl)pyrazole-3,4-dicarboxylate Traditional Name: 1-(4-bromo-2-chloro-phenyl)pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C13H10BrClN2O4 MolecularWeight: 373.5865

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C(=O)OC)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CN(N=C1C(=O)OC)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H10BrClN2O4/c1-20-12(18)8-6-17(16-11(8)13(19)21-2)10-4-3-7(14)5-9(10)15/h3-6H,1-2H3