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

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-3-23(4-2)18(15-8-6-5-7-9-15)14-22-21(25)16-12-19-20(29-11-10-28-19)13-17(16)24(26)27/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,22,25)