2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]-1-(phenylsulfonyl)pyrrole

Systemtic Name: 2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole CAS Name: 1-(benzenesulfonyl)-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl]pyrrole IUPAC Name: 1-(benzenesulfonyl)-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl]pyrrole Traditional Name: 1-besyl-2-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CC(=CC2=CC=CN2S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(OC1)C/C(=C\C2=CC=CN2S(=O)(=O)C3=CC=CC=C3)/[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c20-19(21)15(13-17-24-10-5-11-25-17)12-14-6-4-9-18(14)26(22,23)16-7-2-1-3-8-16/h1-4,6-9,12,17H,5,10-11,13H2/b15-12+