(4-pyrazol-1-ylphenyl)methyl 3-bromanylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-bromanylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H13BrN2O2/c18-15-4-1-3-14(11-15)17(21)22-12-13-5-7-16(8-6-13)20-10-2-9-19-20/h1-11H,12H2