(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(6-bromo-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)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-(6-bromo-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H16BrClN2O5 MolecularWeight: 479.70844

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H16BrClN2O5/c21-13-1-2-16-14(9-13)20(26)24(11-23-16)4-3-18(25)29-10-12-7-15(22)19-17(8-12)27-5-6-28-19/h1-2,7-9,11H,3-6,10H2