4-[(E)-2-(4-nitro-1-oxidanyl-pyridin-1-ium-3-yl)ethenyl]morpholin-4-ium

Systemtic Name: 4-[(E)-2-(4-nitro-1-oxidanyl-pyridin-1-ium-3-yl)ethenyl]morpholin-4-ium Openeye Name: 4-[(E)-2-(1-hydroxy-4-nitro-pyridin-1-ium-3-yl)vinyl]morpholin-4-ium CAS Name: 4-[(E)-2-(1-hydroxy-4-nitro-3-pyridin-1-iumyl)ethenyl]morpholin-4-ium IUPAC Name: 4-[(E)-2-(1-hydroxy-4-nitropyridin-1-ium-3-yl)ethenyl]morpholin-4-ium Traditional Name: 4-[(E)-2-(1-hydroxy-4-nitro-pyridin-1-ium-3-yl)vinyl]morpholin-4-ium Formula: C11H15N3O4+2 MolecularWeight: 253.2545

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C=CC2=C(C=C[N+](=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1/C=C/C2=C(C=C[N+](=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N3O4/c15-13-4-2-11(14(16)17)10(9-13)1-3-12-5-7-18-8-6-12/h1-4,9,15H,5-8H2/q+1/p+1/b3-1+