tert-butyl 3-methyl-5-oxidanylidene-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-1-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-1-carboxylate CAS Name: 3-methyl-5-oxo-4-triphenylphosphoranylidene-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-1-carboxylate Traditional Name: 5-keto-3-methyl-4-triphenylphosphoranylidene-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C27H27N2O3P MolecularWeight: 458.488641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H27N2O3P/c1-20-24(25(30)29(28-20)26(31)32-27(2,3)4)33(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,1-4H3