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

Systemtic Name: [(E)-3-[1-cyclohexyl-5-(1-methylsulfonylcyclohexa-2,4-dien-1-yl)pyrazol-3-yl]prop-2-enyl] nitrate Openeye Name: [(E)-3-[1-cyclohexyl-5-(1-methylsulfonylcyclohexa-2,4-dien-1-yl)pyrazol-3-yl]allyl] nitrate CAS Name: nitric acid [(E)-3-[1-cyclohexyl-5-(1-methylsulfonyl-1-cyclohexa-2,4-dienyl)-3-pyrazolyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[1-cyclohexyl-5-(1-methylsulfonylcyclohexa-2,4-dien-1-yl)pyrazol-3-yl]prop-2-enyl] nitrate Traditional Name: nitric acid [(E)-3-[1-cyclohexyl-5-(1-mesylcyclohexa-2,4-dien-1-yl)pyrazol-3-yl]allyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-28(25,26)19(12-6-3-7-13-19)18-15-16(9-8-14-27-22(23)24)20-21(18)17-10-4-2-5-11-17/h3,6-9,12,15,17H,2,4-5,10-11,13-14H2,1H3/b9-8+