methyl 4-bromanyl-1-(triphenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-1-(triphenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 4-bromo-1-trityl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-(triphenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-1-tritylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-trityl-pyrazole-3-carboxylic acid methyl ester Formula: C24H19BrN2O2 MolecularWeight: 447.32386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN(C=C1Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2O2/c1-29-23(28)22-21(25)17-27(26-22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3