N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-2,6-ditritio-benzamide

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-2,6-ditritio-benzamide Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-2,6-ditritio-benzamide CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-2,6-ditritiobenzamide IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-2,6-ditritiobenzamide Traditional Name: N-[3-(homoveratrylamino)propyl]-4-nitro-2,6-ditritio-benzamide Formula: C20H25N3O5 MolecularWeight: 391.445819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

[3H]C1=CC(=CC(=C1C(=O)NCCCNCCC2=CC(=C(C=C2)OC)OC)[3H])[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-27-18-9-4-15(14-19(18)28-2)10-13-21-11-3-12-22-20(24)16-5-7-17(8-6-16)23(25)26/h4-9,14,21H,3,10-13H2,1-2H3,(H,22,24)/i5T,6T