[(4E)-4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-hydroxyimino-butyl] nitrate

Systemtic Name: [(4E)-4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-hydroxyimino-butyl] nitrate Openeye Name: [(4E)-4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-hydroxyimino-butyl] nitrate CAS Name: nitric acid [(4E)-4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-4-hydroxyiminobutyl] ester IUPAC Name: [(4E)-4-[3-(4-cyanophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-hydroxyiminobutyl] nitrate Traditional Name: nitric acid [(4E)-4-[3-(4-cyanophenyl)-5-(4-mesylphenyl)pyrazol-3-yl]-4-hydroximino-butyl] ester Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(N=N2)(C3=CC=C(C=C3)C#N)C(=NO)CCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(N=N2)(C3=CC=C(C=C3)C#N)/C(=N/O)/CCCO[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6S/c1-33(30,31)18-10-6-16(7-11-18)19-13-21(25-23-19,17-8-4-15(14-22)5-9-17)20(24-27)3-2-12-32-26(28)29/h4-11,13,27H,2-3,12H2,1H3/b24-20+