7-bromanyl-3-oxidanylidene-4-(2-oxidanylideneoxolan-3-yl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-3-oxidanylidene-4-(2-oxidanylideneoxolan-3-yl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-3-oxo-4-(2-oxotetrahydrofuran-3-yl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-4-(2-oxo-3-oxolanyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-3-oxo-4-(2-oxooxolan-3-yl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-(2-ketotetrahydrofuran-3-yl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C17H18BrNO6 MolecularWeight: 412.23192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCOC3=O

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCOC3=O

InChI

InChI=1S/C17H18BrNO6/c1-8(2)14-15(20)19(11-5-6-24-17(11)23)13(16(21)22)10-7-9(18)3-4-12(10)25-14/h3-4,7-8,11,13-14H,5-6H2,1-2H3,(H,21,22)