2-chloranyl-5-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoate

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoate Openeye Name: 5-[(4Z)-4-[(4-benzyloxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]-1-pyrazolyl]benzoate IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoate Traditional Name: 5-[(4Z)-4-(4-benzoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoate Formula: C25H18ClN2O4- MolecularWeight: 445.87442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C25H19ClN2O4/c1-16-21(24(29)28(27-16)19-9-12-23(26)22(14-19)25(30)31)13-17-7-10-20(11-8-17)32-15-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,30,31)/p-1/b21-13-