[(4E)-4-methoxyimino-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]butyl] nitrate

Systemtic Name: [(4E)-4-methoxyimino-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]butyl] nitrate Openeye Name: [(4E)-4-methoxyimino-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]butyl] nitrate CAS Name: nitric acid [(4E)-4-methoxyimino-4-[5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolyl]butyl] ester IUPAC Name: [(4E)-4-methoxyimino-4-[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]butyl] nitrate Traditional Name: nitric acid [(4E)-4-[5-(4-mesylphenyl)-1-phenyl-pyrazol-3-yl]-4-methyloximino-butyl] ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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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)C3=CC=CC=C3

Isomeric SMILES

CO/N=C(\CCCO[N+](=O)[O-])/C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O6S/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/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3/b23-19+