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

Systemtic Name: methyl 5-oxidanylidene-1-phenyl-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-3-carboxylate Openeye Name: methyl 5-oxo-1-phenyl-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-3-carboxylate CAS Name: 5-oxo-1-phenyl-4-triphenylphosphoranylidene-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-1-phenyl-4-(triphenyl-$l^{5}-phosphanylidene)pyrazole-3-carboxylate Traditional Name: 5-keto-1-phenyl-4-triphenylphosphoranylidene-2-pyrazoline-3-carboxylic acid methyl ester Formula: C29H23N2O3P MolecularWeight: 478.478281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=NN(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N2O3P/c1-34-29(33)26-27(28(32)31(30-26)22-14-6-2-7-15-22)35(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3