[(3Z)-3-hydroxyimino-1-[4-methylsulfonyl-2-(2-phenylpyrazol-3-yl)phenyl]butyl] nitrate

Systemtic Name: [(3Z)-3-hydroxyimino-1-[4-methylsulfonyl-2-(2-phenylpyrazol-3-yl)phenyl]butyl] nitrate Openeye Name: [(3Z)-3-hydroxyimino-1-[4-methylsulfonyl-2-(2-phenylpyrazol-3-yl)phenyl]butyl] nitrate CAS Name: nitric acid [(3Z)-3-hydroxyimino-1-[4-methylsulfonyl-2-(2-phenyl-3-pyrazolyl)phenyl]butyl] ester IUPAC Name: [(3Z)-3-hydroxyimino-1-[4-methylsulfonyl-2-(2-phenylpyrazol-3-yl)phenyl]butyl] nitrate Traditional Name: nitric acid [(3Z)-3-hydroximino-1-[4-mesyl-2-(2-phenylpyrazol-3-yl)phenyl]butyl] ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)CC(C1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=NN2C3=CC=CC=C3)O[N+](=O)[O-]

Isomeric SMILES

C/C(=N/O)/CC(C1=C(C=C(C=C1)S(=O)(=O)C)C2=CC=NN2C3=CC=CC=C3)O[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-14(22-25)12-20(30-24(26)27)17-9-8-16(31(2,28)29)13-18(17)19-10-11-21-23(19)15-6-4-3-5-7-15/h3-11,13,20,25H,12H2,1-2H3/b22-14-