2-(4-azanylmorpholin-4-ium-4-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide bromide

Systemtic Name: 2-(4-azanylmorpholin-4-ium-4-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide bromide Openeye Name: 2-(4-aminomorpholin-4-ium-4-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide bromide CAS Name: 2-(4-amino-4-morpholin-4-iumyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide bromide IUPAC Name: 2-(4-aminomorpholin-4-ium-4-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide bromide Traditional Name: 2-(4-aminomorpholin-4-ium-4-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide bromide Formula: C11H16BrN5O5 MolecularWeight: 378.17924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])N.[Br-]

Isomeric SMILES

C1COCC[N+]1(CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])N.[Br-]

InChI

InChI=1S/C11H15N5O5.BrH/c12-16(3-5-20-6-4-16)8-10(17)14-13-7-9-1-2-11(21-9)15(18)19;/h1-2,7H,3-6,8,12H2;1H/b13-7+;