2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)-N-(2,3,4-trimethoxybenzyl)acetamide Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)OC)OC

InChI

InChI=1S/C20H21BrN2O6/c1-26-15-7-4-12(19(27-2)20(15)28-3)9-22-17(24)10-23-14-6-5-13(21)8-16(14)29-11-18(23)25/h4-8H,9-11H2,1-3H3,(H,22,24)