methyl 3-chloranyl-5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxidanylidene-hex-1-enyl]-2-methoxy-benzoate

Systemtic Name: methyl 3-chloranyl-5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxidanylidene-hex-1-enyl]-2-methoxy-benzoate Openeye Name: methyl 3-chloro-5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxo-hex-1-enyl]-2-methoxy-benzoate CAS Name: 3-chloro-5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-[(E)-1-(3-cyanophenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxybenzoate Traditional Name: 3-chloro-5-[(E)-1-(3-cyanophenyl)-6-keto-6-methoxy-hex-1-enyl]-2-methoxy-benzoic acid methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=CCCCC(=O)OC)C2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1Cl)/C(=C/CCCC(=O)OC)/C2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C23H22ClNO5/c1-28-21(26)10-5-4-9-18(16-8-6-7-15(11-16)14-25)17-12-19(23(27)30-3)22(29-2)20(24)13-17/h6-9,11-13H,4-5,10H2,1-3H3/b18-9+