5-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoic acid

Systemtic Name: 5-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoic acid Openeye Name: 5-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid CAS Name: 5-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid IUPAC Name: 5-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid Traditional Name: 5-(6-bromo-3-keto-1,4-benzoxazin-4-yl)valeric acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c14-9-4-5-11-10(7-9)15(12(16)8-19-11)6-2-1-3-13(17)18/h4-5,7H,1-3,6,8H2,(H,17,18)