[(4Z)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-methoxyimino-butyl] nitrate

Systemtic Name: [(4Z)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-methoxyimino-butyl] nitrate Openeye Name: [(4Z)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-methoxyimino-butyl] nitrate CAS Name: nitric acid [(4Z)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-4-methoxyiminobutyl] ester IUPAC Name: [(4Z)-4-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-4-methoxyiminobutyl] nitrate Traditional Name: nitric acid [(4Z)-4-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]-4-methyloximino-butyl] ester Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(CCCO[N+](=O)[O-])C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3

Isomeric SMILES

CO/N=C(/CCCO[N+](=O)[O-])\C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCCCC3

InChI

InChI=1S/C21H28N4O6S/c1-30-23-19(9-6-14-31-25(26)27)20-15-21(24(22-20)17-7-4-3-5-8-17)16-10-12-18(13-11-16)32(2,28)29/h10-13,15,17H,3-9,14H2,1-2H3/b23-19-