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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CS3

InChI

InChI=1S/C17H19N3O5S/c1-19(2)13(16-4-3-7-26-16)10-18-17(21)11-8-14-15(25-6-5-24-14)9-12(11)20(22)23/h3-4,7-9,13H,5-6,10H2,1-2H3,(H,18,21)