5-[(Z)-1-nitro-3-(phenylsulfonyl)prop-1-en-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[(Z)-1-nitro-3-(phenylsulfonyl)prop-1-en-2-yl]-1,3-benzodioxole Openeye Name: 5-[(Z)-1-(benzenesulfonylmethyl)-2-nitro-vinyl]-1,3-benzodioxole CAS Name: 5-[(Z)-3-(benzenesulfonyl)-1-nitroprop-1-en-2-yl]-1,3-benzodioxole IUPAC Name: 5-[(Z)-3-(benzenesulfonyl)-1-nitroprop-1-en-2-yl]-1,3-benzodioxole Traditional Name: 5-[(Z)-1-(besylmethyl)-2-nitro-vinyl]-1,3-benzodioxole Formula: C16H13NO6S MolecularWeight: 347.34252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C(=C/[N+](=O)[O-])/CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO6S/c18-17(19)9-13(10-24(20,21)14-4-2-1-3-5-14)12-6-7-15-16(8-12)23-11-22-15/h1-9H,10-11H2/b13-9+