(4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetyloxybenzoate

Systemtic Name: (4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetyloxybenzoate Openeye Name: (4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl ester IUPAC Name: (4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (4-cyano-5-oxido-furazan-5-ium-3-yl)methyl ester Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC2=NO[N+](=C2C#N)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC2=NO[N+](=C2C#N)[O-]

InChI

InChI=1S/C13H9N3O6/c1-8(17)21-12-5-3-2-4-9(12)13(18)20-7-10-11(6-14)16(19)22-15-10/h2-5H,7H2,1H3