3-[(4Z)-4-[(4-acetyloxy-2-bromanyl-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-4-[(4-acetyloxy-2-bromanyl-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-4-[(4-acetoxy-2-bromo-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-4-[(4-acetyloxy-2-bromo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-4-[(4-acetyloxy-2-bromo-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-4-(4-acetoxy-2-bromo-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C21H16BrN2O6- MolecularWeight: 472.26554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC(=O)C)OC)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2Br)OC(=O)C)OC)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H17BrN2O6/c1-11-16(8-14-9-18(29-3)19(10-17(14)22)30-12(2)25)20(26)24(23-11)15-6-4-5-13(7-15)21(27)28/h4-10H,1-3H3,(H,27,28)/p-1/b16-8-