2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitro-benzonitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitrobenzonitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-nitrobenzonitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-5-nitro-benzonitrile Formula: C16H12N2O4S MolecularWeight: 328.34248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)OC1

InChI

InChI=1S/C16H12N2O4S/c17-10-11-8-12(18(19)20)2-5-16(11)23-13-3-4-14-15(9-13)22-7-1-6-21-14/h2-5,8-9H,1,6-7H2