3-bromanyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propanamide

Systemtic Name: 3-bromanyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propanamide Openeye Name: 3-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propanamide CAS Name: 3-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propanamide IUPAC Name: 3-bromo-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propanamide Traditional Name: 3-bromo-N-[2-(3-keto-6-methoxy-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]propionamide Formula: C13H16BrN2O4+ MolecularWeight: 344.18114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCBr

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCBr

InChI

InChI=1S/C13H15BrN2O4/c1-19-9-2-3-10-11(8-9)20-13(16(10)18)5-7-15-12(17)4-6-14/h2-3,8,13H,4-7H2,1H3/p+1