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

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-propan-2-ylphenyl)methylidene]pyrazol-1-yl]benzoate Openeye Name: 2-chloro-5-[(4Z)-4-[(4-isopropylphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]-1-pyrazolyl]benzoate IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]pyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[(4Z)-4-(4-isopropylbenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C21H18ClN2O3- MolecularWeight: 381.83222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-12(2)15-6-4-14(5-7-15)10-17-13(3)23-24(20(17)25)16-8-9-19(22)18(11-16)21(26)27/h4-12H,1-3H3,(H,26,27)/p-1/b17-10-