4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-chlorophenyl)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C17H9ClNO3- MolecularWeight: 310.71126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C17H10ClNO3/c18-15-7-5-12(6-8-15)16(20)14(10-19)9-11-1-3-13(4-2-11)17(21)22/h1-9H,(H,21,22)/p-1/b14-9+