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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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