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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-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 (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-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 (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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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)OCO4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18ClNO6/c1-12-20(24)22(15-4-2-3-5-16(15)28-12)7-6-18(23)25-10-13-8-14(21)19-17(9-13)26-11-27-19/h2-5,8-9,12H,6-7,10-11H2,1H3