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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)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-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H20ClNO6/c1-13-21(25)23(16-4-2-3-5-17(16)29-13)7-6-19(24)28-12-14-10-15(22)20-18(11-14)26-8-9-27-20/h2-5,10-11,13H,6-9,12H2,1H3