(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C(=O)COC4=CC=CC=C43)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCN3C(=O)COC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H18ClNO6/c21-15-7-13-9-25-12-28-20(13)14(8-15)10-27-19(24)5-6-22-16-3-1-2-4-17(16)26-11-18(22)23/h1-4,7-8H,5-6,9-12H2