3-[[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-(4-methylsulfonylphenyl)-1-(p-tolyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-mesylphenyl)-1-(p-tolyl)pyrazol-3-yl]methoxy]propyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O6S/c1-16-4-8-19(9-5-16)23-21(17-6-10-20(11-7-17)31(2,27)28)14-18(22-23)15-29-12-3-13-30-24(25)26/h4-11,14H,3,12-13,15H2,1-2H3