2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethyl 4-cyanobenzoate

Systemtic Name: 2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethyl 4-cyanobenzoate Openeye Name: 2-(6,7-dimethoxy-1-oxo-isochromen-3-yl)ethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 2-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)ethyl ester IUPAC Name: 2-(6,7-dimethoxy-1-oxoisochromen-3-yl)ethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 2-(1-keto-6,7-dimethoxy-isochromen-3-yl)ethyl ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H17NO6/c1-25-18-10-15-9-16(28-21(24)17(15)11-19(18)26-2)7-8-27-20(23)14-5-3-13(12-22)4-6-14/h3-6,9-11H,7-8H2,1-2H3