methyl 4-[(Z)-[7-(diethylaminomethyl)-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[7-(diethylaminomethyl)-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-keto-coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O

InChI

InChI=1S/C22H23NO5/c1-4-23(5-2)13-17-18(24)11-10-16-20(25)19(28-21(16)17)12-14-6-8-15(9-7-14)22(26)27-3/h6-12,24H,4-5,13H2,1-3H3/b19-12-