[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 2,4-bis(chloranyl)benzoate Openeye Name: [4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-2-ethoxy-phenyl] ester Formula: C21H17Cl2NO5 MolecularWeight: 434.26938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO5/c1-3-27-19-10-13(9-14(12-24)20(25)28-4-2)5-8-18(19)29-21(26)16-7-6-15(22)11-17(16)23/h5-11H,3-4H2,1-2H3