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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2-oxidanylidene-1,4-benzoxazin-3-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2-oxo-1,4-benzoxazin-3-yl)propanoate CAS Name: 3-(2-oxo-1,4-benzoxazin-3-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-oxo-1,4-benzoxazin-3-yl)propanoate Traditional Name: 3-(2-keto-1,4-benzoxazin-3-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=NC4=CC=CC=C4OC3=O

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)CCC3=NC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H16ClNO6/c21-13-9-12(10-17-19(13)26-8-7-25-17)11-27-18(23)6-5-15-20(24)28-16-4-2-1-3-14(16)22-15/h1-4,9-10H,5-8,11H2