2-[(E)-5-(4-chloranyl-3-methoxy-phenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl benzoate

Systemtic Name: 2-[(E)-5-(4-chloranyl-3-methoxy-phenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl benzoate Openeye Name: 2-[(E)-5-(4-chloro-3-methoxy-phenyl)-3-oxo-pent-4-enoyl]oxyethyl benzoate CAS Name: benzoic acid 2-[(E)-5-(4-chloro-3-methoxyphenyl)-1,3-dioxopent-4-enoxy]ethyl ester IUPAC Name: 2-[(E)-5-(4-chloro-3-methoxyphenyl)-3-oxopent-4-enoyl]oxyethyl benzoate Traditional Name: benzoic acid 2-[(E)-5-(4-chloro-3-methoxy-phenyl)-3-keto-pent-4-enoyl]oxyethyl ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)CC(=O)OCCOC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)OCCOC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H19ClO6/c1-26-19-13-15(8-10-18(19)22)7-9-17(23)14-20(24)27-11-12-28-21(25)16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3/b9-7+