[4-[(E)-(5-chloranyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-(5-chloranyl-3-oxidanylidene-1-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-(5-chloro-3-oxo-benzofuran-2-ylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-(5-chloro-3-oxo-2-benzofuranylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(5-chloro-3-oxo-1-benzofuran-2-ylidene)methyl]-2-ethoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-(5-chloro-3-keto-coumaran-2-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C25H19ClO5 MolecularWeight: 434.86836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H19ClO5/c1-3-29-22-12-16(13-23-24(27)19-14-18(26)9-11-20(19)30-23)6-10-21(22)31-25(28)17-7-4-15(2)5-8-17/h4-14H,3H2,1-2H3/b23-13+