3-(8-bromanyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: 3-(8-bromanyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(8-bromo-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(8-bromo-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(8-bromo-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(8-bromo-2-isopropyl-3-keto-1,4-benzoxazin-4-yl)propionic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-8(2)12-14(19)16(7-6-11(17)18)10-5-3-4-9(15)13(10)20-12/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)