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

Systemtic Name: 3-[[1-(4-methoxy-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[1-(4-methoxy-3-nitro-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[1-(4-methoxy-3-nitrophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[1-(4-methoxy-3-nitrophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-mesylphenyl)-1-(4-methoxy-3-nitro-phenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C21H22N4O9S MolecularWeight: 506.48578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C21H22N4O9S/c1-32-21-9-6-17(13-20(21)24(26)27)23-19(15-4-7-18(8-5-15)35(2,30)31)12-16(22-23)14-33-10-3-11-34-25(28)29/h4-9,12-13H,3,10-11,14H2,1-2H3