[(E)-3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enyl] nitrate

Systemtic Name: [(E)-3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enyl] nitrate Openeye Name: [(E)-3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]allyl] nitrate CAS Name: nitric acid [(E)-3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]prop-2-enyl] nitrate Traditional Name: nitric acid [(E)-3-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]allyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)C=CCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)/C=C/CO[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-28(25,26)18-11-9-15(10-12-18)19-14-16(6-5-13-27-22(23)24)20-21(19)17-7-3-2-4-8-17/h5-6,9-12,14,17H,2-4,7-8,13H2,1H3/b6-5+