6-[(2-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(2-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(2-nitrophenyl)methylthio]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(2-nitrophenyl)methylsulfanyl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(2-nitrobenzyl)thio]-2,3-dihydro-1,4-benzodioxin Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4S/c17-16(18)13-4-2-1-3-11(13)10-21-12-5-6-14-15(9-12)20-8-7-19-14/h1-6,9H,7-8,10H2