(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-bromanylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-bromanylbenzoate Openeye Name: (5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid (5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl ester Formula: C18H14BrClN2O2 MolecularWeight: 405.67296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C18H14BrClN2O2/c1-22-17(20)15(16(21-22)12-5-3-2-4-6-12)11-24-18(23)13-7-9-14(19)10-8-13/h2-10H,11H2,1H3