N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-4-nitro-benzohydrazide

Systemtic Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-4-nitro-benzohydrazide Openeye Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-nitro-benzohydrazide CAS Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-4-nitrobenzohydrazide IUPAC Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-nitrobenzohydrazide Traditional Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-4-nitro-benzohydrazide Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H17N3O6S/c22-17(19-20-18(23)12-2-4-13(5-3-12)21(24)25)11-28-14-6-7-15-16(10-14)27-9-1-8-26-15/h2-7,10H,1,8-9,11H2,(H,19,22)(H,20,23)