[4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OCC=C)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OCC=C)OC

InChI

InChI=1S/C22H19NO6/c1-4-11-28-21(24)17(14-23)12-15-5-10-19(20(13-15)27-3)29-22(25)16-6-8-18(26-2)9-7-16/h4-10,12-13H,1,11H2,2-3H3/b17-12+