6-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5S/c21-18(19-6-9-26-12-13-4-2-1-3-5-13)14-10-16-17(25-8-7-24-16)11-15(14)20(22)23/h1-5,10-11H,6-9,12H2,(H,19,21)