[4-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-4-oxobutyl] ester IUPAC Name: [4-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[1-(4-bromophenyl)-5-(4-mesylphenyl)pyrazol-3-yl]-4-keto-butyl] ester Formula: C20H18BrN3O6S MolecularWeight: 508.34242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Br)C(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)Br)C(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O6S/c1-31(28,29)17-10-4-14(5-11-17)19-13-18(20(25)3-2-12-30-24(26)27)22-23(19)16-8-6-15(21)7-9-16/h4-11,13H,2-3,12H2,1H3