(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C20H17ClN2O5/c21-15-9-13(10-18-20(15)27-8-7-26-18)12-28-19(25)5-6-23-16-4-2-1-3-14(16)17(24)11-22-23/h1-4,9-11H,5-8,12H2