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

Systemtic Name: (4-aminocarbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetyloxybenzoate Openeye Name: (4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl ester IUPAC Name: (4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (4-carbamoyl-5-oxido-furazan-5-ium-3-yl)methyl ester Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O7/c1-7(17)22-10-5-3-2-4-8(10)13(19)21-6-9-11(12(14)18)16(20)23-15-9/h2-5H,6H2,1H3,(H2,14,18)