4-[(E)-[(3E)-3-[(4-carboxylatophenyl)methylidene]-5-cyano-2-oxidanylidene-5-phenyl-cyclohexylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[(3E)-3-[(4-carboxylatophenyl)methylidene]-5-cyano-2-oxidanylidene-5-phenyl-cyclohexylidene]methyl]benzoate Openeye Name: 4-[(E)-[(3E)-3-[(4-carboxylatophenyl)methylene]-5-cyano-2-oxo-5-phenyl-cyclohexylidene]methyl]benzoate CAS Name: 4-[(E)-[(3E)-3-[(4-carboxylatophenyl)methylidene]-5-cyano-2-oxo-5-phenylcyclohexylidene]methyl]benzoate IUPAC Name: 4-[(E)-[(3E)-3-[(4-carboxylatophenyl)methylidene]-5-cyano-2-oxo-5-phenylcyclohexylidene]methyl]benzoate Traditional Name: 4-[(E)-[(3E)-3-(4-carboxylatobenzylidene)-5-cyano-2-keto-5-phenyl-cyclohexylidene]methyl]benzoate Formula: C29H19NO5-2 MolecularWeight: 461.46486

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C\1C(C/C(=C\C2=CC=C(C=C2)C(=O)[O-])/C(=O)/C1=C/C3=CC=C(C=C3)C(=O)[O-])(C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H21NO5/c30-18-29(25-4-2-1-3-5-25)16-23(14-19-6-10-21(11-7-19)27(32)33)26(31)24(17-29)15-20-8-12-22(13-9-20)28(34)35/h1-15H,16-17H2,(H,32,33)(H,34,35)/p-2/b23-14+,24-15+