ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-4-keto-7-methoxy-chromene-2-carboxylic acid ethyl ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H20O7/c1-4-12-8-14-17(10-16(12)25-3)29-21(22(24)26-5-2)19(20(14)23)13-6-7-15-18(9-13)28-11-27-15/h6-10H,4-5,11H2,1-3H3