[3-(1,3-benzodioxol-5-ylcarbonyl)-4-(4-methylsulfonylphenyl)phenyl]methyl nitrate

Systemtic Name: [3-(1,3-benzodioxol-5-ylcarbonyl)-4-(4-methylsulfonylphenyl)phenyl]methyl nitrate Openeye Name: [3-(1,3-benzodioxole-5-carbonyl)-4-(4-methylsulfonylphenyl)phenyl]methyl nitrate CAS Name: nitric acid [3-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(4-methylsulfonylphenyl)phenyl]methyl ester IUPAC Name: [3-(1,3-benzodioxole-5-carbonyl)-4-(4-methylsulfonylphenyl)phenyl]methyl nitrate Traditional Name: nitric acid [4-(4-mesylphenyl)-3-piperonyloyl-benzyl] ester Formula: C22H17NO8S MolecularWeight: 455.43728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CO[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CO[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H17NO8S/c1-32(27,28)17-6-3-15(4-7-17)18-8-2-14(12-31-23(25)26)10-19(18)22(24)16-5-9-20-21(11-16)30-13-29-20/h2-11H,12-13H2,1H3