3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propyl 2-acetyloxybenzoate

Systemtic Name: 3-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propyl 2-acetyloxybenzoate Openeye Name: 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propyl ester IUPAC Name: 3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)oxy]propyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid 3-(5-oxido-4-phenyl-furazan-5-ium-3-yl)oxypropyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCCCOC2=NO[N+](=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCCCOC2=NO[N+](=C2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H18N2O7/c1-14(23)28-17-11-6-5-10-16(17)20(24)27-13-7-12-26-19-18(22(25)29-21-19)15-8-3-2-4-9-15/h2-6,8-11H,7,12-13H2,1H3