3-[(4E)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4E)-4-[(4-butoxy-3-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4E)-4-[(4-butoxy-3-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4E)-4-(4-butoxy-3-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C23H23N2O5- MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)[O-])C)OC

InChI

InChI=1S/C23H24N2O5/c1-4-5-11-30-20-10-9-16(13-21(20)29-3)12-19-15(2)24-25(22(19)26)18-8-6-7-17(14-18)23(27)28/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,28)/p-1/b19-12+