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

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-bis(chloranyl)benzoate Openeye Name: [4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H13Cl2NO5 MolecularWeight: 406.21622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2NO5/c1-25-17-8-11(7-13(10-22)18(23)26-2)3-6-16(17)27-19(24)12-4-5-14(20)15(21)9-12/h3-9H,1-2H3/b13-7+