3-[4-[5-chloranyl-3-(4-sulfamoylphenyl)imidazol-4-yl]-2-fluoranyl-phenoxy]propyl nitrate

Systemtic Name: 3-[4-[5-chloranyl-3-(4-sulfamoylphenyl)imidazol-4-yl]-2-fluoranyl-phenoxy]propyl nitrate Openeye Name: 3-[4-[5-chloro-3-(4-sulfamoylphenyl)imidazol-4-yl]-2-fluoro-phenoxy]propyl nitrate CAS Name: nitric acid 3-[4-[5-chloro-3-(4-sulfamoylphenyl)-4-imidazolyl]-2-fluorophenoxy]propyl ester IUPAC Name: 3-[4-[5-chloro-3-(4-sulfamoylphenyl)imidazol-4-yl]-2-fluorophenoxy]propyl nitrate Traditional Name: nitric acid 3-[4-[5-chloro-3-(4-sulfamoylphenyl)imidazol-4-yl]-2-fluoro-phenoxy]propyl ester Formula: C18H16ClFN4O6S MolecularWeight: 470.859243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC(=C2C3=CC(=C(C=C3)OCCCO[N+](=O)[O-])F)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N2C=NC(=C2C3=CC(=C(C=C3)OCCCO[N+](=O)[O-])F)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H16ClFN4O6S/c19-18-17(23(11-22-18)13-3-5-14(6-4-13)31(21,27)28)12-2-7-16(15(20)10-12)29-8-1-9-30-24(25)26/h2-7,10-11H,1,8-9H2,(H2,21,27,28)