3-[5-[(4-bromophenyl)carbonyloxymethyl]-1H-pyrazol-4-yl]prop-2-ynyl 4-bromanylbenzoate

Systemtic Name: 3-[5-[(4-bromophenyl)carbonyloxymethyl]-1H-pyrazol-4-yl]prop-2-ynyl 4-bromanylbenzoate Openeye Name: 3-[5-[(4-bromobenzoyl)oxymethyl]-1H-pyrazol-4-yl]prop-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 3-[5-[[(4-bromophenyl)-oxomethoxy]methyl]-1H-pyrazol-4-yl]prop-2-ynyl ester IUPAC Name: 3-[5-[(4-bromobenzoyl)oxymethyl]-1H-pyrazol-4-yl]prop-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-[5-[(4-bromobenzoyl)oxymethyl]-1H-pyrazol-4-yl]prop-2-ynyl ester Formula: C21H14Br2N2O4 MolecularWeight: 518.15486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#CC2=C(NN=C2)COC(=O)C3=CC=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#CC2=C(NN=C2)COC(=O)C3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C21H14Br2N2O4/c22-17-7-3-14(4-8-17)20(26)28-11-1-2-16-12-24-25-19(16)13-29-21(27)15-5-9-18(23)10-6-15/h3-10,12H,11,13H2,(H,24,25)