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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-benzamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitro-benzamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitrobenzamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-nitro-benzamide Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c17-16(19)10-2-5-15(12(8-10)18(20)21)24-11-3-4-13-14(9-11)23-7-1-6-22-13/h2-5,8-9H,1,6-7H2,(H2,17,19)