3-[[1-(4-methyl-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[1-(4-methyl-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[1-(4-methyl-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[1-(4-methyl-3-nitrophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[1-(4-methyl-3-nitrophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-mesylphenyl)-1-(4-methyl-3-nitro-phenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O8S/c1-15-4-7-18(13-20(15)24(26)27)23-21(16-5-8-19(9-6-16)34(2,30)31)12-17(22-23)14-32-10-3-11-33-25(28)29/h4-9,12-13H,3,10-11,14H2,1-2H3