[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C15H14BrClN2O4 MolecularWeight: 401.63966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br)Cl)C

InChI

InChI=1S/C15H14BrClN2O4/c1-8-13(14(17)19(2)18-8)15(21)23-7-11(20)9-4-5-12(22-3)10(16)6-9/h4-6H,7H2,1-3H3