4-nitro-1,2-oxazol-5-olate; pyridin-1-ium

Systemtic Name: 4-nitro-1,2-oxazol-5-olate; pyridin-1-ium Openeye Name: 4-nitroisoxazol-5-olate; pyridin-1-ium CAS Name: 4-nitro-5-isoxazololate; pyridin-1-ium IUPAC Name: 4-nitro-1,2-oxazol-5-olate; pyridin-1-ium Traditional Name: 4-nitroisoxazol-5-olate; pyridin-1-ium Formula: C8H7N3O4 MolecularWeight: 209.15888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=NOC(=C1[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=NOC(=C1[N+](=O)[O-])[O-]

InChI

InChI=1S/C5H5N.C3H2N2O4/c1-2-4-6-5-3-1;6-3-2(5(7)8)1-4-9-3/h1-5H;1,6H