2-[[3-(2-methylphenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]ethyl nitrate

Systemtic Name: 2-[[3-(2-methylphenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]ethyl nitrate Openeye Name: 2-[3-(o-tolyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]oxyethyl nitrate CAS Name: nitric acid 2-[[3-(2-methylphenyl)-4-(4-sulfamoylphenyl)-5-isoxazolyl]oxy]ethyl ester IUPAC Name: 2-[[3-(2-methylphenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]oxy]ethyl nitrate Traditional Name: nitric acid 2-[3-(o-tolyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]oxyethyl ester Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)OCCO[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)OCCO[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-12-4-2-3-5-15(12)17-16(13-6-8-14(9-7-13)29(19,24)25)18(28-20-17)26-10-11-27-21(22)23/h2-9H,10-11H2,1H3,(H2,19,24,25)