(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-cyanobenzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-cyanobenzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H15NO5 MolecularWeight: 349.3368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H15NO5/c1-2-13-7-16-15(8-19(23)26-18(16)9-17(13)22)11-25-20(24)14-5-3-12(10-21)4-6-14/h3-9,22H,2,11H2,1H3