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

Systemtic Name: 3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitro-prop-1-enyl]pyrrole CAS Name: 1-(benzenesulfonyl)-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl]pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-[(E)-3-(1,3-dioxan-2-yl)-2-nitroprop-1-enyl]pyrrole Traditional Name: 1-besyl-3-[(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=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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