methyl 4-[[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H19BrN2O5/c1-22(10-13-3-5-14(6-4-13)20(26)27-2)18(24)11-23-16-8-7-15(21)9-17(16)28-12-19(23)25/h3-9H,10-12H2,1-2H3